SCHEMBL219543

SCHEMBL219543

Cc1cc(Nc2nc(Cl)nc(N3CCOCC3)c2F)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.59
JAK2 O60674 11/20 0.59
NTRK1 P04629 1/20 0.54
AURKA O14965 2/20 0.52
AURKB Q96GD4 1/20 0.52
PAK4 O96013 2/20 0.47
PLK4 O00444 1/20 0.47
IGF1R P08069 1/20 0.45
SYK P43405 2/20 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
SCHEMBL219030 0.86 JAK2 (0.47) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL3936147 0.78 NTRK1 (0.60) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL220017 0.78 JAK3 (0.88) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL219046 0.77 PAK4 (0.59) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL28900195 0.77 NTRK1 (0.61) NTRK1AURKAAURKBPAK4PLK4
SCHEMBL30353192 0.74 NTRK1 (0.50) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL19998179 0.73 NTRK1 (0.49) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL29487453 0.73 NTRK1 (0.49) JAK3JAK2NTRK1AURKAAURKB
SCHEMBL4982949 0.73 JAK3 (1.00) JAK3JAK2NTRK1AURKB
SCHEMBL29487416 0.71 NTRK1 (0.47) JAK3JAK2NTRK1AURKAAURKB

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-1945631-B1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 JAK3 13/4885JAK2 35/4885NTRK1 759/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 JAK3 14/4885JAK2 42/4885NTRK1 734/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 JAK3 13/4885JAK2 35/4885NTRK1 759/4885

“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.