SCHEMBL588427

SCHEMBL588427

Fc1cnc(Cl)nc1Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
IGF1R P08069 4/20 0.43
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 2/20 0.38
NTRK1 P04629 2/20 0.37
SYK P43405 3/20 0.33
ROCK2 O75116 2/20 0.32
BCL6 P41182 1/20 0.32
GRM4 Q14833 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL3852710 0.86 IGF1R (0.41) KMT2AIGF1RJAK2NTRK1ROCK2
SCHEMBL4073673 0.84 IGF1R (0.43) KMT2AIGF1RNTRK1
SCHEMBL589661 0.84 IGF1R (0.46) IGF1RNTRK1
SCHEMBL4069130 0.84 IGF1R (0.45) KMT2AIGF1RROCK2
SCHEMBL3763586 0.79 IGF1R (0.38) KMT2AIGF1RALDH1A1SYK
SCHEMBL220033 0.78 IGF1R (0.66) IGF1RJAK2NTRK1
SCHEMBL4068340 0.77
SCHEMBL3340680 0.75 NTRK1 (0.42) NTRK1
SCHEMBL3339748 0.75 NTRK1 (0.43) JAK2NTRK1
SCHEMBL27815652 0.74 IGF1R (0.33) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 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 (2 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 KMT2A 1536/4885IGF1R 407/4885ALDH1A1 1326/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 KMT2A 1536/4885IGF1R 407/4885ALDH1A1 1326/4885

“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.