SCHEMBL4844440

SCHEMBL4844440

NNc1cc(-c2ccc(Cl)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.51
KMO O15229 3/20 0.50
CLK4 Q9HAZ1 3/20 0.45
DYRK1A Q13627 2/20 0.45
USP30 Q70CQ3 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAP4K4 O95819 1/20 0.39
SCN9A Q15858 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL2229377 0.83 KMO (0.63) FAAHKMOCLK4DYRK1A
SCHEMBL20816288 0.82 FAAH (0.51) FAAHKMOCLK4DYRK1AUSP30
SCHEMBL20137308 0.80 KMO (0.63) FAAHKMOSMN1; SMN2MAP4K4ASIC3
SCHEMBL559244 0.76 KMO (0.68) FAAHKMOMAPTKDM4ESMN1; SMN2
SCHEMBL1257940 0.75 KMO (0.58) FAAHKMOCLK4DYRK1AMAPT
SCHEMBL20415204 0.75 CYP1A2 (0.46) FAAHCLK4MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11782659 0.73 FAAH (0.53) FAAHKMOCLK4DYRK1A
SCHEMBL28314105 0.73 KMO (0.61) FAAHKMOMAPTKDM4ESMN1; SMN2
SCHEMBL25295702 0.72 CYP1A2 (0.60) FAAHKMOMAPTKDM4ESMN1; SMN2
SCHEMBL6845003 0.72 KMO (0.54) FAAHKMOMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 FAAH 36/4885KMO 1745/4885CLK4 626/4885

“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.