SCHEMBL12177224

SCHEMBL12177224

Cn1cnc2cc(I)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
IP6K1 Q92551 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ACVR1 Q04771 2/20 0.43
MAP2K1 Q02750 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.39
SYK P43405 2/20 0.38
PARP1 P09874 1/20 0.37
TGFBR1 P36897 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
ACVR1B P36896 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
SCHEMBL3230513 0.86 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1MAP2K1
SCHEMBL7600928 0.81 L3MBTL1 (0.49) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL5312155 0.79 L3MBTL1 (0.48) L3MBTL1IP6K1KDM4EESR1ESR2
SCHEMBL30186355 0.79 ESR1 (0.62) L3MBTL1IP6K1KDM4EESR1ESR2
SCHEMBL1500289 0.79 L3MBTL1 (0.48) L3MBTL1IP6K1KDM4EESR1ESR2
SCHEMBL9919057 0.79 F2RL3 (0.51) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL25111597 0.77 L3MBTL1 (0.46) L3MBTL1IP6K1KDM4EESR1ESR2
SCHEMBL9922440 0.77 KDM4E (0.51) L3MBTL1IP6K1KDM4EESR1ESR2
SCHEMBL9922700 0.77 L3MBTL1 (0.46) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL9922443 0.77 GABRA1 (0.50) L3MBTL1IP6K1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3949708-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-02-09 EP disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 L3MBTL1 4542/4885IP6K1 900/4885KDM4E 2302/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 L3MBTL1 3635/4885IP6K1 1018/4885KDM4E 2090/4885

“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.