SCHEMBL2120929

SCHEMBL2120929

CC(C)(C)c1cc(Nc2nc(Cl)ncc2Br)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.64
NTRK1 P04629 2/20 0.46
FGFR1 P11362 4/20 0.43
KDR P35968 4/20 0.43
INSR P06213 2/20 0.43
PLK4 O00444 1/20 0.42
PAK4 O96013 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2120951 0.86 NTRK1 (0.58) IGF1RNTRK1FGFR1KDRPLK4
SCHEMBL219273 0.82 IGF1R (0.62) IGF1RFGFR1KDRINSRPLK4
SCHEMBL4040614 0.82 IGF1R (0.58) IGF1RNTRK1FGFR1KDRINSR
SCHEMBL4034896 0.80 IGF1R (0.60) IGF1RFGFR1KDRINSRPLK4
SCHEMBL1164281 0.79 NTRK1 (0.56) IGF1RNTRK1FGFR1KDRPLK4
SCHEMBL4033781 0.79 IGF1R (0.57) IGF1RNTRK1FGFR1KDRINSR
SCHEMBL217975 0.79 IGF1R (0.45) IGF1RFGFR1KDRINSRPLK4
SCHEMBL11347412 0.78 IGF1R (1.00) IGF1RFGFR1KDR
SCHEMBL218889 0.76 IGF1R (0.44) IGF1RNTRK1FGFR1KDRINSR
SCHEMBL2317829 0.75 IGF1R (0.75) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 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-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 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 (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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 IGF1R 1655/4885NTRK1 4610/4885FGFR1 1251/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 IGF1R 1655/4885NTRK1 4610/4885FGFR1 1251/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR IGF1R 1/4885NTRK1 560/4885FGFR1 15/4885

“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.