SCHEMBL5830692

SCHEMBL5830692

Nc1ccc(-c2cccc3c2CC(=O)N3)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.58
CREBBP Q92793 2/20 0.58
ABL1 P00519 1/20 0.51
OPRM1 P35372 4/20 0.49
OPRL1 P41146 4/20 0.49
PIP4K2A P48426 1/20 0.49
PIP4K2B P78356 1/20 0.49
JAK2 O60674 1/20 0.44
LRRK2 Q5S007 1/20 0.41
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
GSK3B P49841 3/20 0.40
CCNT1 O60563 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39

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
SCHEMBL7003835 1.00 BRD4 (0.58) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL5830609 0.86 PIP4K2A (0.51) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL19145392 0.83 ABL1 (0.54) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL19105603 0.80 PIP4K2A (0.49) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL5829804 0.77 CYP11B1 (0.55) ABL1PIP4K2APIP4K2BJAK2CCNB2
SCHEMBL5830094 0.77 PIP4K2A (0.56) ABL1OPRM1OPRL1PIP4K2APIP4K2B
SCHEMBL16090379 0.76 BRD4 (0.52) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL5843496 0.76 JAK2 (0.51) BRD4CREBBPABL1OPRM1OPRL1
SCHEMBL10712645 0.75 TDP2 (0.52) ABL1PIP4K2APIP4K2BJAK2LRRK2
SCHEMBL6324288 0.75 CCNB2 (0.49) ABL1PIP4K2APIP4K2BJAK2CCNB2

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
US-7053086-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. (US) 2006-05-30 US disclosed
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2004-05-20 US disclosed
US-6635640-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2003-10-21 US disclosed
EP-1296975-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2003-04-02 EP disclosed
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-12 US disclosed
WO-2002002551-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2002-01-10 WO 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-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 BRD4 681/4885CREBBP 1096/4885ABL1 243/4885
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 BRD4 681/4885CREBBP 1096/4885ABL1 243/4885

“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.