SCHEMBL3756885

SCHEMBL3756885

NC(N)(c1ccccn1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 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
SCHEMBL2435903 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL31036835 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
Hydrazine SCHEMBL28365317 0.77 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL9065871 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL29582316 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL5041519 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL84051 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL29401687 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL29424134 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1NOS3NOS1NOS2
SCHEMBL864064 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1NOS3NOS1NOS2

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 SMN1; SMN2 473/4885L3MBTL1 2518/4885NOS3 3494/4885

“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.