SCHEMBL8700310

SCHEMBL8700310

Cc1c(C#N)cccc1CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NISCH Q9Y2I1 1/20 0.38
PNMT P11086 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
LRRK2 Q5S007 1/20 0.37
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
NR3C1 P04150 1/20 0.33
ADORA2A P29274 1/20 0.33
PLAU P00749 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Water SCHEMBL8703021 1.00 TSHR (0.43) TSHRNISCHPNMTLOXL2LRRK2
SCHEMBL20157368 0.85 TAAR1 (0.47) TSHRNISCHLRRK2MAPTSMN1; SMN2
SCHEMBL8855696 0.83 TSHR (0.46) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL11967122 0.82 TSHR (0.45) TSHRNISCHLRRK2ALDH1A1MAOB
SCHEMBL3933757 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL31667703 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL2134106 0.80 PDCD1 (0.48) TSHRNISCHLRRK2ALDH1A1MAPT
SCHEMBL6354890 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL15898401 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL1110228 0.79 CYP19A1 (0.46) TSHRPNMTLOXL2CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 US disclosed
WO-2023280317-A1 BENZYLAMINO TRICYCLIC COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-01-12 WO disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 TSHR 1237/4885NISCH 1340/4885PNMT 2400/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 TSHR 1237/4885NISCH 1340/4885PNMT 2400/4885
US-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 TSHR 3357/4885NISCH 3428/4885PNMT 4056/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 TSHR 1237/4885NISCH 1340/4885PNMT 2400/4885

“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.