SCHEMBL820776

SCHEMBL820776

CC(C)(C)c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
NPC1 O15118 5/20 0.44
HTT P42858 5/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GPR3 P46089 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A2 P05177 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18661272 0.83 PDE10A (0.44) PDE10ANPC1HTTRAB9AALDH1A1
SCHEMBL24604964 0.82 NQO2 (0.45) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL18869541 0.80 PDE10A (0.46) PDE10ANPC1RAB9AALDH1A1HPGD
SCHEMBL5720367 0.80 PDE10A (0.48) PDE10ANPC1HTTRAB9AALDH1A1
Ethane SCHEMBL27894198 0.79 PDE10A (0.44) PDE10ANPC1HTTRAB9AALDH1A1
SCHEMBL27915532 0.79 HPGD (0.41) PDE10ANPC1HTTRAB9AALDH1A1
SCHEMBL25054660 0.79 SYK (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1671064 0.78 PDE10A (0.47) PDE10ANPC1HTTRAB9AALDH1A1
SCHEMBL29764247 0.78 PDE10A (0.47) PDE10ANPC1HTTRAB9AALDH1A1
SCHEMBL5720303 0.78 ALDH1A1 (0.47) PDE10ANPC1HTTRAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 216 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-12-12 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11787771-B2 Hydrazide containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2023-10-17 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B PDE10A 3365/4885NPC1 179/4885HTT 1027/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC PDE10A 2519/4885NPC1 179/4885HTT 1526/4885
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B PDE10A 2016/4885NPC1 4043/4885HTT 4178/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 PDE10A 305/4885NPC1 11/4885HTT 652/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK PDE10A 777/4885NPC1 255/4885HTT 3053/4885
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 PDE10A 3751/4885NPC1 2044/4885HTT 1515/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 PDE10A 305/4885NPC1 11/4885HTT 652/4885
US-11787771-B2 Hydrazide containing nuclear transport modulators and uses thereof XPO1, KPNA1, ABCB11 PDE10A 2941/4885NPC1 42/4885HTT 470/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 PDE10A 109/4885NPC1 2895/4885HTT 2996/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 PDE10A 594/4885NPC1 1346/4885HTT 1444/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC PDE10A 4585/4885NPC1 755/4885HTT 1755/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE10A 594/4885NPC1 868/4885HTT 3293/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.