SCHEMBL2270749

SCHEMBL2270749

COC(=O)c1cc(F)cc2cn(C3CCN(C(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
AEBP2 Q6ZN18 1/20 0.39
USP30 Q70CQ3 3/20 0.39
PARP1 P09874 1/20 0.39
EGFR P00533 3/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL28618092 0.89 JAK2 (0.47) JAK2JAK1PARP1
SCHEMBL28607992 0.84 PARP1 (0.44) JAK2JAK1PARP1
SCHEMBL28607007 0.83 PARP1 (0.48) JAK2JAK1PARP1
SCHEMBL27908945 0.83 EGFR (0.38) CCNT1CDK9JAK2JAK1USP30
SCHEMBL27908947 0.82 GPR119 (0.41) CCNT1CDK9JAK2JAK1USP30
SCHEMBL359420 0.79 PARP1 (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1422383 0.75 PARP1 (0.46) JAK2JAK1USP30PARP1
SCHEMBL31749704 0.75 FPR2 (0.44) JAK2JAK1EEDRBBP4SUZ12
SCHEMBL25197622 0.74 DPP4 (0.44) USP30MAPT
SCHEMBL20606506 0.74 IRAK4 (0.46) EEDRBBP4SUZ12EZH2AEBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 CCNT1 266/4885CDK9 139/4885JAK2 1768/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 CCNT1 266/4885CDK9 139/4885JAK2 1768/4885

“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.