SCHEMBL8030619

SCHEMBL8030619

Cc1cccc2cnn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR8 Q9NR97 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL31668718 1.00 ADRA2A (0.45) ADRA2AMEN1NPC1HCRTR1RAB9A
SCHEMBL19152608 0.78 PRMT5 (0.49) ADRA2AKMT2AALDH1A1CYP2A6CYP1A2
SCHEMBL20487685 0.78 ADRA2A (0.44) ADRA2AMEN1NPC1HCRTR1RAB9A
SCHEMBL21855816 0.78 PSMD14 (0.42) ADRA2AALDH1A1CYP1A2KDM4EGLA
SCHEMBL3654197 0.78 ADRA2A (0.44) ADRA2AMEN1NPC1HCRTR1RAB9A
SCHEMBL25072709 0.78 ALDH1A1 (0.36) ADRA2AALDH1A1CYP1A2KDM4EGLA
SCHEMBL20987528 0.78 ALDH1A1 (0.36) ADRA2AALDH1A1CYP1A2KDM4EGLA
SCHEMBL3364159 0.78 ADORA3 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2383365 0.78 NOS1 (0.37) ADRA2AMEN1NPC1RAB9AKMT2A
SCHEMBL30007438 0.78 ADORA3 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 WO disclosed
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 US disclosed
EP-3971182-A1 2-SUBSTITUTED AMINO-NAPHTH[1,2-D]IMIDAZOL-5-ONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PTC Therapeutics, Inc. (US) 2022-03-23 EP disclosed
EP-3464270-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2022-02-23 EP disclosed
EP-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 EP disclosed
EP-3541814-B1 2-SUBSTITUTED AMINO-NAPHTH[1,2-D]IMIDAZOL-5-ONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PTC THERAPEUTICS INC (US) 2021-10-20 EP disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009084501-A1 SULTAM DERIVATIVE ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-09 WO disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO 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 (6 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 ADRA2A 186/4885MEN1 1499/4885NPC1 736/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADRA2A 168/4885MEN1 4128/4885NPC1 868/4885
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent CBR3, HDHD5, OSR1 ADRA2A 4330/4885MEN1 2382/4885NPC1 2313/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 ADRA2A 1232/4885MEN1 1760/4885NPC1 1298/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS ADRA2A 3084/4885MEN1 352/4885NPC1 1708/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 ADRA2A 4466/4885MEN1 2847/4885NPC1 2255/4885

“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.