SCHEMBL2086831

SCHEMBL2086831

CC(N)(C(=O)O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAPRT Q6XQN6 2/20 0.42
LMNA P02545 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
BLM P54132 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL31073982 1.00 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL622397 1.00 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL14184223 0.85 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL28996600 0.85 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL29282181 0.84 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL505194 0.81 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL5074249 0.81 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL1827357 0.79 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
SCHEMBL1026708 0.78 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM
Hydrochloric Acid SCHEMBL17102116 0.78 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2NAPRTLMNAP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 CN disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR L3MBTL1 4686/4885SMN1; SMN2 4089/4885NAPRT 1522/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR L3MBTL1 4769/4885SMN1; SMN2 4292/4885NAPRT 1337/4885

“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.