SCHEMBL4963301

SCHEMBL4963301

Cc1cccc2ncc(C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.44
HPGDS O60760 2/20 0.43
EGLN2 Q96KS0 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.41
PTGER4 P35408 1/20 0.41
MAP4K4 O95819 2/20 0.39
LRRK2 Q5S007 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL11164941 0.79 HTT (0.47) HPGDSEGLN2ALDH1A1CYP1A2CYP3A4
SCHEMBL24003951 0.79 ABCG2 (0.42) RAF1HPGDSALDH1A1CYP1A2CYP3A4
SCHEMBL25583782 0.79 HPGDS (0.40) HPGDSEGLN2ALDH1A1CYP1A2CYP3A4
SCHEMBL2204306 0.79 HPGDS (0.60) HPGDSALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL2633153 0.76 CYP1A2 (0.53) CYP1A2KDM4E
SCHEMBL30666632 0.76 CYP1A2 (0.53) CYP1A2KDM4E
SCHEMBL981901 0.74 CDK8 (0.51) EGLN2ALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL17309719 0.73 CYP1A2 (0.39) ALDH1A1CYP1A2HSD17B10TSHRKDM4E
SCHEMBL18378968 0.73 CYP1A2 (0.39) CYP1A2KDM4E
SCHEMBL21064338 0.73 CYP1A2 (0.39) ALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
US-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
US-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
CN-116783165-A 1,2,3, 4-tetrahydroquinoline derivatives as YAP/TAZ-TEAD activation inhibitors for the treatment of cancer 天主教鲁汶大学 2023-09-19 CN disclosed
EP-4222143-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER Katholieke Universiteit Leuven (BE) 2023-08-09 EP disclosed
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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 (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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER YAP1, TEAD2, TEAD1 RAF1 782/4885HPGDS 350/4885EGLN2 903/4885
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 RAF1 187/4885HPGDS 2224/4885EGLN2 1007/4885

“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.