SCHEMBL4979403

SCHEMBL4979403

O=C(Cl)c1ncc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
GSTO1 P78417 1/20 0.49
CNR1 P21554 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
SCD O00767 1/20 0.48
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 1/20 0.47
ACP1 P24666 1/20 0.46
HDAC4 P56524 1/20 0.46
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28781367 0.85 KDR (0.56) KDRERCC5FEN1GSTO1CNR1
SCHEMBL13437383 0.85 KDR (0.56) KDRERCC5FEN1GSTO1CNR1
SCHEMBL16102044 0.83 KDR (0.54) KDRERCC5FEN1GSTO1CNR1
SCHEMBL24113290 0.81 KDR (0.53) KDRERCC5FEN1GSTO1CNR1
SCHEMBL2678850 0.81 KDR (0.53) KDRERCC5FEN1GSTO1CNR1
SCHEMBL24112826 0.81 KDR (0.53) KDRERCC5FEN1GSTO1CNR1
Lithium Ion SCHEMBL16102042 0.80 ERCC5 (0.55) KDRERCC5FEN1GSTO1CNR1
Potassium Ion SCHEMBL4975200 0.80 ERCC5 (0.55) KDRERCC5FEN1GSTO1CNR1
SCHEMBL18620839 0.79 KDR (0.50) KDRERCC5FEN1GSTO1CNR1
SCHEMBL6893581 0.79 KDR (0.50) KDRERCC5FEN1GSTO1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2020-02-06 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
WO-2007107005-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE, INC. (CA) 2007-09-27 WO disclosed
US-4326065-A PLASTICS, VARNISHES, POLYESTERS EASTMAN KODAK COMPANY (US) 1982-04-20 US disclosed
US-4251433-A BENZOTRIAZOLE DERIVATIVES; FOR POLYMERS EASTMAN KODAK COMPANY (US) 1981-02-17 US disclosed
US-4236013-A ADDITIVES FOR POLYMERS EASTMAN KODAK COMPANY (US) 1980-11-25 US disclosed
US-4137235-A ULTRAVIOLET STABILIZERS IN POLYMERIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1979-01-30 US disclosed
US-4116928-A Heterocylic ester, ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-09-26 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-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KDR 11/4885ERCC5 3372/4885FEN1 1153/4885
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS KDR 2826/4885ERCC5 721/4885FEN1 2283/4885

“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.