SCHEMBL4391037

SCHEMBL4391037

FC(F)(F)c1nc(-c2ccc(Cl)cc2)nc2c1CCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.41
HTR2A P28223 6/20 0.41
HTR2B P41595 6/20 0.41
SOS1 Q07889 1/20 0.40
HTR7 P34969 3/20 0.39
HTR6 P50406 2/20 0.39
HTR3A P46098 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1E P28566 1/20 0.38
XBP1 P17861 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 2/20 0.34
MTOR P42345 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL3388287 0.88 HTR2C (0.53) HTR2CHTR2AHTR2BHTR7HTR6
Hydrochloric Acid SCHEMBL1262699 0.87 HTR2A (0.52) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL1967019 0.86 HTR2C (0.51) HTR2CHTR2AHTR2BNPSR1MAPT
Hydrochloric Acid SCHEMBL1262177 0.85 HTR2C (0.50) HTR2CHTR2AHTR2BNPSR1MAPT
SCHEMBL3419388 0.85 PSD (0.42) HTR2CHTR2AHTR2BMTOR
Hydrochloric Acid SCHEMBL1261370 0.84 PSD (0.41) HTR2CHTR2AHTR2BMTOR
Hydrochloric Acid SCHEMBL1262185 0.84 HTR2C (0.39) HTR2CHTR2AHTR2BHTR7HTR3A
SCHEMBL1968920 0.80 CYP1A2 (0.36) HTR2CHTR2AHTR2BMAPTMTOR
SCHEMBL3390238 0.80 PDCD1 (0.38) HTR2CHTR2AHTR2B
SCHEMBL3394336 0.79 USP1 (0.43) HTR2CHTR2AHTR2BNPSR1KDM4E

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-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 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-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP7 HTR2C 2788/4885HTR2A 2783/4885HTR2B 3305/4885

“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.