SCHEMBL3761521

SCHEMBL3761521

Cn1cc(-c2cnc3c(-c4ccc(C(=O)NCC5CCCO5)cc4)cnn3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CHRM1 P11229 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MARK3 P27448 7/20 0.49
MAPK14 Q16539 2/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.48
IGF1R P08069 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.46
SGK1 O00141 1/20 0.46
PIK3CD O00329 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
SCHEMBL3761908 0.85 MARK3 (0.71) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3761581 0.80 MARK3 (0.56) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3767614 0.80 MARK3 (0.56) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3766798 0.80 MARK3 (0.57) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3762618 0.79 CCNC (0.58) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3758779 0.78 MARK3 (0.53) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3762970 0.76 MARK3 (0.72) CHRM1MARK3MAPK14IGF1RSGK1
SCHEMBL3766730 0.76 MARK3 (0.72) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL12997807 0.76 MARK3 (0.72) MARK3MAPK14IGF1RSGK1PIK3CD
SCHEMBL3758736 0.75 MAP4K4 (0.57) MARK3MAPK14SGK1PIK3CDCHEK1

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 9 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
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-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US 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
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 US disclosed
WO-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 KMT2A 2787/4885MEN1 4397/4885CHRM1 3310/4885

“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.