SCHEMBL4473026

SCHEMBL4473026

N#C/C(C(N)=S)=C(\N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
PARP15 Q460N3 4/20 0.41
PARP2 Q9UGN5 2/20 0.41
PARP14 Q460N5 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
SRD5A2 P31213 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
F2 P00734 2/20 0.39
F10 P00742 1/20 0.39
FURIN P09958 1/20 0.39
LTA4H P09960 2/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP16 Q8N5Y8 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
SCHEMBL4473030 1.00 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL4473032 1.00 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL9657793 0.85 POLB (0.42) SMN1; SMN2F2F10ALDH1A1KMT2A
SCHEMBL24442628 0.84 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL4480029 0.80 PARP10 (0.55) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL18634466 0.75 PARP10 (0.49) PARP10SMN1; SMN2PARP15PARP2PARP14
SCHEMBL14697856 0.75 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1PLAU
SCHEMBL18956042 0.75 MAPK1 (0.45) ALDH1A1KMT2ATSHR
SCHEMBL18956039 0.75 MAPK1 (0.45) ALDH1A1KMT2ATSHR
SCHEMBL14697854 0.75 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1PLAU

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 8 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
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP 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
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO 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 2661/4885SMN1; SMN2 4282/4885PARP15 1530/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 PARP10 2596/4885SMN1; SMN2 4409/4885PARP15 1381/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PARP10 2661/4885SMN1; SMN2 4282/4885PARP15 1530/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PARP10 2707/4885SMN1; SMN2 4369/4885PARP15 1560/4885

“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.