SCHEMBL3338360

SCHEMBL3338360

CCC(Nc1ncc(Br)c(Nc2cc(C)[nH]n2)n1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.64
FGFR1 P11362 10/20 0.64
KDR P35968 10/20 0.64
INSR P06213 3/20 0.64
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
NTRK1 P04629 2/20 0.50

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
SCHEMBL3338201 0.89 NTRK1 (0.59) IGF1RFGFR1KDRINSRJAK2
SCHEMBL3338356 0.88 JAK2 (0.64) IGF1RFGFR1KDRINSRJAK2
SCHEMBL3343208 0.83 IGF1R (0.66) IGF1RFGFR1KDRINSRJAK2
SCHEMBL4071285 0.81 NTRK1 (0.73) IGF1RFGFR1KDRINSRJAK2
SCHEMBL2123750 0.81 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL5455909 0.78 NTRK1 (0.47) IGF1RFGFR1KDRINSRJAK2
SCHEMBL2122037 0.78 IGF1R (1.00) IGF1RFGFR1KDRINSR
SCHEMBL3335945 0.77 NTRK1 (0.72) IGF1RFGFR1KDRINSRJAK2
SCHEMBL11344539 0.76 IGF1R (1.00) IGF1RNTRK1
SCHEMBL4164401 0.76 IGF1R (1.00) IGF1RNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US claimed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US claimed
JP-2007511589-A 2007-05-10 JP claimed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP claimed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO claimed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1877057-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2008-01-16 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
WO-2006115452-A1 USE OF PYRAZOLYL-PYRIMIDINE DERIVATIVES IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-11-02 WO disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 IGF1R 133/4885FGFR1 223/4885KDR 86/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK IGF1R 194/4885FGFR1 229/4885KDR 94/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP IGF1R 4775/4885FGFR1 3443/4885KDR 4023/4885

“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.