SCHEMBL2084494

SCHEMBL2084494

c1nc2ccc3cnoc3c2s1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29001094 0.73 MAOA (0.32) ALDH1A1HSD17B10
SCHEMBL2722669 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10
SCHEMBL21730010 0.68 DYRK1A (0.39) ALDH1A1HSD17B10
SCHEMBL38650866 0.66 AXL (0.38) ALDH1A1HSD17B10
SCHEMBL19725731 0.66 AXL (0.38) ALDH1A1HSD17B10
SCHEMBL29877409 0.66 BACE1 (0.33)
SCHEMBL9980542 0.64 EGFR (0.37) ALDH1A1HSD17B10
SCHEMBL28874631 0.64 CYP1A2 (0.39) ALDH1A1
SCHEMBL5929534 0.64 MAPT (0.40) ALDH1A1HSD17B10
SCHEMBL11372655 0.64 MAPK10 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP disclosed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20060264628-A1 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2006-11-23 US disclosed
US-20060241297-A1 Pyridinylamino-pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2006-10-26 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 (5 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 ALDH1A1 4332/4885HSD17B10 1859/4885
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 ALDH1A1 2669/4885HSD17B10 1426/4885
US-20060264628-A1 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CDK10, CSNK1A1L, CDK20 ALDH1A1 4633/4885HSD17B10 1017/4885
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 ALDH1A1 1568/4885HSD17B10 2991/4885
US-20060241297-A1 Pyridinylamino-pyrimidine derivatives as protein kinase inhibitors FRK, CNKSR1, TYK2 ALDH1A1 4406/4885HSD17B10 3736/4885

“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.