SCHEMBL1362174

SCHEMBL1362174

Nc1ccc(F)c(-c2[nH]c3ncccc3c2C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ BRD4 O60885 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ ERN1 O75460 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ MAPT P10636 2/20 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
SCHEMBL1777845 0.72 ADORA2A (0.50) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL31160505 0.69 COPS5 (0.43) CCNT1CDK9KMT2AAURKAPARP1
SCHEMBL31160472 0.68 CKS1B (0.45) ERN1
SCHEMBL2345339 0.67 KMT2A (0.47) KMT2AERN1AURKAPARP1MAPT
SCHEMBL1714222 0.67 KMT2A (0.47) KMT2AERN1AURKAPARP1MAPT
SCHEMBL2651950 0.66 MAP4K4 (0.44) CCNT1CDK9BRD4KMT2APARP1
SCHEMBL31160461 0.65 CKS1B (0.46) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL15332059 0.65 KDM4E (0.43) CCNT1CDK9CCNB2CDK1CCNB1
SCHEMBL15330688 0.65 CNR1 (0.39) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL30549074 0.65 GABRG2 (0.51) CCNT1CDK9BRD4MAPTMAP4K4

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
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 — — EP disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 — — US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 — — US disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 — — US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 — — US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 — — 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 (3 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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 CCNT1 4695/4885CDK9 2279/4885BRD4 2811/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 CCNT1 4507/4885CDK9 1294/4885BRD4 1994/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 CCNT1 4732/4885CDK9 2518/4885BRD4 2842/4885

“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.

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