SCHEMBL3852003

SCHEMBL3852003

COCCCc1cc(Nc2cc(C)[nH]n2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.43
PLK4 O00444 2/20 0.43
IGF1R P08069 5/20 0.40
FGFR1 P11362 5/20 0.40
KDR P35968 5/20 0.40
PIK3C3 Q8NEB9 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 2/20 0.38
AURKA O14965 8/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
RET P07949 2/20 0.37
JAK3 P52333 2/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL3993234 0.80 PAK4 (0.49) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL4788903 0.75 PAK4 (0.49) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL220647 0.74 PAK4 (0.57) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL343410 0.74 PAK4 (0.54) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL2959267 0.74 KDM4E (0.45) PAK4PLK4PIK3C3MEN1KMT2A
SCHEMBL4012227 0.72 FGFR1 (0.60) PAK4IGF1RFGFR1KDRAURKA
SCHEMBL20943748 0.71 SYK (0.47) PAK4PLK4PIK3C3MEN1HTT
SCHEMBL3859688 0.71 KCNH2 (0.34) HTTHSD17B10
SCHEMBL3852749 0.70 GRK6 (0.41) PAK4PLK4IGF1RFGFR1KDR
SCHEMBL22079284 0.70 PAK4 (0.49) PAK4PLK4IGF1RFGFR1KDR

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 3 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

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 PAK4 2162/4885PLK4 2334/4885IGF1R 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.