SCHEMBL3869550

SCHEMBL3869550

Cc1cc(Nc2ncccn2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.51
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AURKA O14965 9/20 0.46
AURKB Q96GD4 7/20 0.46
DHODH Q02127 1/20 0.46
IGF1R P08069 7/20 0.46
KDR P35968 6/20 0.46
FGFR1 P11362 5/20 0.46
GSK3B P49841 5/20 0.46
GSK3A P49840 3/20 0.46
PAK4 O96013 2/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL25472805 0.82 MEN1 (0.44) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL16534531 0.81 ITK (0.60) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL29683717 0.81 ITK (0.60) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL29784035 0.80 JAK2 (0.57) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL17501771 0.79 ITK (0.50) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL29783966 0.78 IGF1R (0.55) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL30377611 0.75 AURKA (0.49) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL5766890 0.74 IGF1R (0.50) ITKAURKAAURKBIGF1RKDR
SCHEMBL21925754 0.74 AURKA (0.47) ITKMEN1HTTKMT2AHSD17B10
SCHEMBL3939475 0.74 PAK4 (0.56) ITKMEN1HTTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007510626-A 2007-04-26 JP claimed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP claimed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 WO claimed
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-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 WO 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 (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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 ITK 4597/4885MEN1 789/4885HTT 2002/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR ITK 1075/4885MEN1 1458/4885HTT 3073/4885

“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.