SCHEMBL17339762

SCHEMBL17339762

CC(C)NC(=O)/C=C/CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ELANE P08246 5/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.36
BTK Q06187 1/20 0.35
NPC1 O15118 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL16665575 0.98 GAA (0.46) ALDH1A1GAAELANEMEN1CYP2C19
SCHEMBL19010127 0.95 ALDH1A1 (0.46) ALDH1A1GAAELANEMEN1CYP2C19
SCHEMBL16665572 0.87 ALDH1A1 (0.42) ALDH1A1GAACYP2C19TSHRCHRM5
SCHEMBL16665574 0.85 SMN1; SMN2 (0.46) ALDH1A1GAAMEN1KMT2AMAPK1
SCHEMBL26650941 0.84 ALDH1A1 (0.40) ALDH1A1GAAELANEMEN1CYP2C19
SCHEMBL15600776 0.84 CHRNB2 (0.41) ALDH1A1GAAELANEMEN1CYP2C19
SCHEMBL15601151 0.82 CHRNB2 (0.42) ALDH1A1ELANEMEN1CYP2C19KMT2A
SCHEMBL20093365 0.82 SIGMAR1 (0.43) ALDH1A1GAAELANEMEN1CYP2C19
SCHEMBL20093381 0.81 HSD11B1 (0.37) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL17538514 0.80 ELANE (0.41) ALDH1A1GAAELANEMEN1CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224961-A1 CANCER THERAPY USING A COMBINATION OF A CDK7 INHIBITOR WITH AN ORAL SERD EXELIXIS, INC. (US) 2023-11-23 WO disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
WO-2022206939-A1 HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF 海南耀臻生物医药科技有限公司 2022-10-06 WO disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 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 (2 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-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS ALDH1A1 2334/4885GAA 3961/4885ELANE 3061/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 ALDH1A1 3339/4885GAA 2254/4885ELANE 3858/4885

“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.