SCHEMBL4474632

SCHEMBL4474632

COc1cc(-c2csc(N)c2C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.70
MAPT P10636 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 1/20 0.43
CHEK1 O14757 6/20 0.42
LMNA P02545 1/20 0.41
PRKCI P41743 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL1981554 0.82 PRKCZ (1.00) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL4469939 0.76 PRKCZ (0.50) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL11224598 0.73 CHEK1 (0.61) MAPTHSD17B10ALOX15ALDH1A1CHEK1
SCHEMBL15629589 0.73 PRKCZ (0.68) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL18047472 0.72 ALDH1A1 (0.46) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL20299345 0.71 PRKCZ (0.46) PRKCZMAPTALDH1A1HPGDCHEK1
SCHEMBL1982690 0.71 PRKCZ (0.65) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL8814194 0.70 CUL4A (0.39) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL12960178 0.70 PRKCZ (0.63) PRKCZMAPTHSD17B10ALOX15HTT
SCHEMBL224136 0.70 VCAM1 (0.54) MAPTHSD17B10ALOX15HTTALDH1A1

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 7 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

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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PRKCZ 287/4885MAPT 3255/4885HSD17B10 3520/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 PRKCZ 241/4885MAPT 2789/4885HSD17B10 3986/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK PRKCZ 287/4885MAPT 3255/4885HSD17B10 3520/4885

“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.