SCHEMBL3856477

SCHEMBL3856477

CCc1cc(Nc2nc(Cl)ncc2F)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 14/20 0.45
AURKA O14965 5/20 0.45
NTRK1 P04629 2/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
PLK4 O00444 1/20 0.42
PAK4 O96013 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1770945 0.86 FGFR1 (0.46) GRK6AURKANTRK1JAK2JAK3
SCHEMBL219315 0.85 PLK4 (0.58) AURKANTRK1JAK2JAK3IGF1R
SCHEMBL4040614 0.84 IGF1R (0.58) NTRK1IGF1RFGFR1KDRPLK4
SCHEMBL4076654 0.82 ALDH1A1 (0.43) AURKANTRK1JAK2JAK3IGF1R
SCHEMBL3342973 0.80 KMT2A (0.42) AURKANTRK1JAK2JAK3IGF1R
SCHEMBL4040276 0.79 FGFR1 (0.46) GRK6AURKANTRK1JAK2JAK3
SCHEMBL4034896 0.77 IGF1R (0.60) JAK2JAK3IGF1RFGFR1KDR
SCHEMBL4064988 0.76 JAK2 (0.43) AURKANTRK1JAK2JAK3IGF1R
SCHEMBL220033 0.75 IGF1R (0.66) NTRK1JAK2IGF1R
SCHEMBL3852107 0.74 ITK (0.45) GRK6AURKANTRK1IGF1RFGFR1

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 GRK6 362/4885AURKA 3354/4885NTRK1 231/4885

“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.