SCHEMBL2147165

SCHEMBL2147165

CC(=O)NNc1ccc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 8/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FDPS P14324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL17961368 0.84 TSHR (0.53) RAB9AALDH1A1NPC1TP53MAPK1
SCHEMBL29883001 0.81 PTK2 (0.62) RAB9AALDH1A1NPC1TP53MAPK1
SCHEMBL356367 0.81 PTK2 (0.62) RAB9AALDH1A1NPC1TP53MAPK1
SCHEMBL4074315 0.81 FDPS (0.46) RAB9ANPC1TP53MAPK1TSHR
Ammonia Solution, Strong SCHEMBL27883856 0.80 PTK2 (0.61) RAB9AALDH1A1NPC1TP53MAPK1
SCHEMBL1695279 0.80 RAB9A (0.59) RAB9AALDH1A1NPC1TP53MEN1
SCHEMBL26016838 0.79 RAB9A (0.50) RAB9AALDH1A1NPC1TSHRMEN1
Dimethylamine SCHEMBL6611746 0.79 PTK2 (0.59) RAB9AALDH1A1NPC1TP53MAPK1
SCHEMBL12461029 0.79 ALDH1A1 (0.44) RAB9AALDH1A1TSHRKMT2ALMNA
SCHEMBL2269321 0.78 ALDH1A1 (0.52) RAB9AALDH1A1NPC1TP53MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 RAB9A 347/4885ALDH1A1 2634/4885NPC1 2152/4885

“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.