SCHEMBL6089632

SCHEMBL6089632

Cc1[nH]c(C=O)c(C)c1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
ERN1 O75460 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2A13 Q16696 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL6092642 0.86 ALOX15 (0.42) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6091353 0.84 ALOX15 (0.45) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4410704 0.84 PDGFRB (0.43) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL7117376 0.84 ALDH1A1 (0.34) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7125283 0.82 PDGFRB (0.34) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5401530 0.81 MCL1 (0.40) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7128643 0.78 TRPV6 (0.35) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7244667 0.78 BAZ2A (0.33) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7117883 0.78 HRH3 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6740495 0.78 LMNA (0.35) HSD17B10ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
WO-2005113561-A1 CYCLICSULFONATE PYRROLE INDOLINONES AS KINASE INHIBITORS SUGEN, INC. (US) 2005-12-01 WO disclosed
US-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed
US-20040157909-A1 4-Aryl substituted indolinones SUGEN, INC. 2004-08-12 US disclosed
US-6677368-B2 4-aryl substituted indolinones SUGEN, INC. 2004-01-13 US disclosed
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
US-20030069297-A1 4-aryl substituted indolinones SUGEN, INC. 2003-04-10 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 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 (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-20030069297-A1 4-aryl substituted indolinones CDK5, CAMK4, TNK2 HSD17B10 1894/4885ALDH1A1 1671/4885KDM4E 905/4885
US-20040157909-A1 4-Aryl substituted indolinones CDK5, CAMK4, TNK2 HSD17B10 1894/4885ALDH1A1 1671/4885KDM4E 905/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 HSD17B10 3069/4885ALDH1A1 2773/4885KDM4E 931/4885

“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.