SCHEMBL3849950

SCHEMBL3849950

CCc1cc(Nc2cc(C)nc(Cl)n2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 9/20 0.42
AURKA O14965 3/20 0.42
IGF1R P08069 6/20 0.40
PLK4 O00444 1/20 0.40
PAK4 O96013 1/20 0.40
AURKB Q96GD4 1/20 0.38
NTRK1 P04629 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
RET P07949 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
COMT P21964 1/20 0.36

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
SCHEMBL5823577 0.95 GRK6 (0.41) GRK6AURKAIGF1RPLK4PAK4
SCHEMBL3852023 0.87 GRK6 (0.42) GRK6AURKAIGF1RPLK4PAK4
SCHEMBL3852749 0.85 GRK6 (0.41) GRK6AURKAIGF1RPLK4PAK4
SCHEMBL5822082 0.85 GRK6 (0.42) GRK6AURKAIGF1RPLK4PAK4
SCHEMBL343410 0.84 PAK4 (0.54) AURKAIGF1RPLK4PAK4AURKB
SCHEMBL5768922 0.81 GRK6 (0.41) GRK6AURKAIGF1RPLK4PAK4
SCHEMBL3855238 0.80 AURKA (0.42) GRK6AURKAIGF1RAURKB
SCHEMBL4913165 0.79 PIK3C3 (0.45) IGF1RPLK4PAK4NTRK1PIK3C3
SCHEMBL3852107 0.78 ITK (0.45) GRK6AURKAIGF1RNTRK1CCNA2
SCHEMBL14606049 0.78 PAK4 (0.49) GRK6AURKAIGF1RPLK4PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 GRK6 362/4885AURKA 3354/4885IGF1R 1/4885

“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.