SCHEMBL942952

SCHEMBL942952

COc1cccc2[c]ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
PDE10A Q9Y233 1/20 0.41
NQO2 P16083 5/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1098748 0.86 PDE10A (0.41) HTR1AADRA1DADRA1AADRA1BPDE10A
SCHEMBL15404881 0.77 MEN1 (0.36) ADRA1DADRA1AADRA1BNQO2SMN1; SMN2
SCHEMBL4465618 0.76 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL855198 0.72 PARP1 (0.33) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL3896844 0.72 NR4A2 (0.43) HTR1AADRA1DADRA1AADRA1BPDE10A
SCHEMBL8467497 0.72 METAP2 (0.48) ADRA1ASMN1; SMN2NPC1LMNARAB9A
SCHEMBL849098 0.71 NCF1 (0.38) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL4461039 0.71 NQO2 (0.41) NQO2KEAP1NFE2L2SMN1; SMN2NPC1
SCHEMBL5747832 0.71 GABRA1 (0.36) HTR1ASMN1; SMN2LMNAMAPTTDP1
SCHEMBL855665 0.71 NQO2 (0.41) HTR1AADRA1DADRA1AADRA1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068976-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-04 WO claimed
EP-4345101-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2024-04-03 EP claimed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
CN-113891879-A 3, 6-disubstituted-2-pyridine aldoxime skeletons 国家科学研究中心 2022-01-04 CN claimed
EP-3924334-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS Centre national de la recherche scientifique (FR) 2021-12-22 EP claimed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO claimed
WO-2020165432-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-08-20 WO claimed
EP-3696170-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-08-19 EP claimed
US-6313247-B1 Cinchonan based chiral selectors for separation of stereoisomers LINDNER WOLFGANG (AT) 2001-11-06 US claimed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 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 (4 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 HTR1A 4035/4885ADRA1D 4465/4885ADRA1A 4498/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 HTR1A 4515/4885ADRA1D 4535/4885ADRA1A 4722/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 HTR1A 341/4885ADRA1D 62/4885ADRA1A 100/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP HTR1A 4447/4885ADRA1D 4581/4885ADRA1A 4771/4885

“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.