SCHEMBL3758736

SCHEMBL3758736

Cn1cc(-c2cnc3c(-c4ccc(C(=O)O)cc4)cnn3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
CHEK1 O14757 2/20 0.53
MARK3 P27448 8/20 0.53
KDR P35968 10/20 0.51
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
PRKAB1 Q9Y478 2/20 0.49
SGK1 O00141 1/20 0.49
PIK3CD O00329 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
NUAK1 O60285 1/20 0.49
CCNT1 O60563 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL3763056 0.89 MKNK1 (0.58) MAP4K4CHEK1MARK3KDRFLT1
SCHEMBL3761556 0.87 MARK3 (0.53) CHEK1MARK3KDRFLT1FLT4
SCHEMBL5416682 0.86 KDR (0.67) MAP4K4KDRFLT1FLT4PRKAB1
SCHEMBL3758779 0.84 MARK3 (0.53) CHEK1MARK3KDRFLT1FLT4
SCHEMBL3762618 0.83 CCNC (0.58) CHEK1MARK3KDRPRKAB1SGK1
SCHEMBL13126019 0.83 KDR (0.76) MAP4K4MARK3KDRFLT1FLT4
SCHEMBL3761581 0.81 MARK3 (0.56) CHEK1MARK3KDRPRKAB1SGK1
SCHEMBL3766798 0.81 MARK3 (0.57) CHEK1MARK3KDRFLT1FLT4
SCHEMBL3767614 0.81 MARK3 (0.56) CHEK1MARK3KDRPRKAB1SGK1
SCHEMBL1222255 0.81 CHEK1 (0.70) MAP4K4CHEK1METPIM1

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
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 MAP4K4 55/4885CHEK1 329/4885MARK3 12/4885

“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.