SCHEMBL340001

SCHEMBL340001

NCc1cc2ncc(C(=O)Nc3cccnc3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KCNMA1 Q12791 1/20 0.46
SGMS2 Q8NHU3 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
LRRK2 Q5S007 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B2 P19099 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 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
SCHEMBL338895 0.90 JAK2 (0.45) NPC1RAB9ARXFP1KCNMA1MEN1
SCHEMBL868834 0.81 DPP4 (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL339203 0.77 KDR (0.44) CYP1A2CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL338817 0.76 DPP4 (0.52) NPC1RAB9A
SCHEMBL340329 0.74 KDM4E (0.45) NPC1MEN1KMT2AMAPTKDM4E
SCHEMBL339937 0.74 HSD17B10 (0.41) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL339876 0.74 DPP4 (0.42) NPC1RAB9A
SCHEMBL339964 0.73 DPP4 (0.41) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL338672 0.73 DPP4 (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL339827 0.73 DPP4 (0.43) NPC1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC NPC1 605/4885RAB9A 4708/4885RXFP1 1739/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC NPC1 605/4885RAB9A 4708/4885RXFP1 1739/4885

“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.