SCHEMBL5829917

SCHEMBL5829917

Cc1c(C(=O)N2CCCCC2)c[nH]c1C=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL6220703 0.87 L3MBTL1 (0.42) HPGDALDH1A1TSHRKMT2APOLB
SCHEMBL5830636 0.85 HTT (0.48) HPGDALDH1A1HTTTSHRKMT2A
SCHEMBL6319364 0.78 CNR1 (0.33) HPGDALDH1A1NPSR1KMT2A
SCHEMBL6268433 0.76 TSHR (0.50) HPGDALDH1A1HTTNPSR1TSHR
SCHEMBL1078596 0.73 NOTUM (0.42) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL16466885 0.72 HPGD (0.55) HPGDALDH1A1NPSR1TSHRMEN1
SCHEMBL1079651 0.67 KMT2A (0.50) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5830081 0.67 HPGD (0.47) HPGDALDH1A1HTTNPSR1TSHR
SCHEMBL11237577 0.67 MAPT (0.51) HPGDALDH1A1HTTNPSR1TSHR
SCHEMBL26559635 0.67 HTT (0.58) HPGDALDH1A1HTTNPSR1TSHR

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 HPGD 971/4885ALDH1A1 3855/4885HTT 2119/4885
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 HPGD 971/4885ALDH1A1 3855/4885HTT 2119/4885

“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.