SCHEMBL10310477

SCHEMBL10310477

Cc1ccc2c(cnn2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
CREBBP Q92793 2/20 0.37
BRD4 O60885 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
GRM7 Q14831 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
PIP4K2A P48426 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
KDR P35968 1/20 0.33
CCR4 P51679 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32

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
SCHEMBL15518859 0.80 BRD4 (0.36) TP53CREBBPBRD4BRD9KDR
SCHEMBL21608562 0.80 PI4KA (0.38) TP53CREBBPGRM7F7F3
SCHEMBL29769114 0.80 PIP4K2A (0.38) TP53CREBBPGRM7CYP1A2PIP4K2A
SCHEMBL30861058 0.80 PI4KA (0.38) TP53CREBBPGRM7F7F3
SCHEMBL13676392 0.80 PIP4K2A (0.38) TP53CREBBPGRM7CYP1A2PIP4K2A
SCHEMBL23634875 0.80 GRM7 (0.34) TP53CREBBPBRD4GRM7PIP4K2A
SCHEMBL19084488 0.80 MAOB (0.37) TP53CREBBPBRD4PIP4K2AKDR
SCHEMBL20045406 0.78 CCR1 (0.33) PDE3BPDE3ACCR1CCR5CCR8
SCHEMBL21024170 0.77 CCR4 (0.37) TP53CREBBPBRD4GRM7PIP4K2A
SCHEMBL21662940 0.77 KDM5B (0.37) TP53CREBBPGRM7PIP4K2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 US disclosed
EP-3464270-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2022-02-23 EP disclosed
US-20210233620-A1 MACHINE LEARNING CHEMIFY LIMITED (GB) 2021-07-29 US disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
WO-2020113071-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-06-04 WO disclosed
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-9988357-B2 Methods for preparation of quinazoline derivatives ARAXES PHARMA LLC (US) 2018-06-05 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 US disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (7 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 TP53 488/4885CREBBP 329/4885BRD4 182/4885
US-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 TP53 4489/4885CREBBP 1915/4885BRD4 1058/4885
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 TP53 64/4885CREBBP 891/4885BRD4 499/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 TP53 4489/4885CREBBP 1915/4885BRD4 1058/4885
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 TP53 4578/4885CREBBP 797/4885BRD4 2432/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 TP53 2086/4885CREBBP 2/4885BRD4 18/4885
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 TP53 4578/4885CREBBP 797/4885BRD4 2432/4885

“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.