SCHEMBL4480029

SCHEMBL4480029

N#CC(C#N)=C(N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.55
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PARP15 Q460N3 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
PARP14 Q460N5 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
SRD5A2 P31213 2/20 0.44
LTA4H P09960 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
MAOA P21397 1/20 0.44
F2 P00734 2/20 0.43
F10 P00742 1/20 0.43
FURIN P09958 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42

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
SCHEMBL9656417 0.82 POLB (0.62) POLBF2F10TSHRALDH1A1
SCHEMBL15588847 0.82 PARP10 (0.46) PARP10SMN1; SMN2SRD5A2LTA4HNR1H2
SCHEMBL202753 0.81 PARP10 (0.53) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL4473030 0.80 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL4473026 0.80 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL24442628 0.80 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL4473032 0.80 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL26070574 0.77 PARP10 (0.45) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL200799 0.76 LTA4H (0.46) PARP10SMN1; SMN2SRD5A2LTA4HNR1H2
SCHEMBL454784 0.75 PARP10 (0.42) PARP10POLBSMN1; SMN2SRD5A2LTA4H

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
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (4 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PARP10 2661/4885POLB 3026/4885SMN1; SMN2 4282/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 PARP10 2596/4885POLB 2436/4885SMN1; SMN2 4409/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PARP10 2661/4885POLB 3026/4885SMN1; SMN2 4282/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PARP10 2707/4885POLB 3356/4885SMN1; SMN2 4369/4885

“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.