SCHEMBL2120905

SCHEMBL2120905

CC(C)(C)c1cc(Nc2nc(NCc3cccnc3)ncc2Br)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.74
FGFR1 P11362 10/20 0.74
KDR P35968 10/20 0.74
INSR P06213 4/20 0.66
NTRK1 P04629 2/20 0.54

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
SCHEMBL2122674 0.88 IGF1R (0.58) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036281 0.87 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL2123750 0.87 IGF1R (0.85) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL3860644 0.86 IGF1R (0.61) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4032744 0.85 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036210 0.85 IGF1R (0.63) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4038423 0.84 IGF1R (1.00) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4032002 0.82 IGF1R (0.60) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036866 0.82 IGF1R (0.63) IGF1RFGFR1KDRINSRNTRK1
SCHEMBL4036802 0.81 IGF1R (0.70) IGF1RFGFR1KDRINSRNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US 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
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP disclosed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 IGF1R 1655/4885FGFR1 1251/4885KDR 1768/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 IGF1R 1655/4885FGFR1 1251/4885KDR 1768/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR IGF1R 1/4885FGFR1 15/4885KDR 28/4885

“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.