SCHEMBL1178732

SCHEMBL1178732

Nc1ccnc(Cl)c1C(=O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
HIF1A Q16665 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1585196 0.82 NPC1 (0.42) TAAR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1178776 0.81 HTT (0.59) TAAR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL28486525 0.80 MEN1 (0.49) SMN1; SMN2KMT2AKDM4EL3MBTL1TSHR
SCHEMBL28482356 0.77 MEN1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28477887 0.76 MAPT (0.45) KMT2AHIF1AL3MBTL1MEN1LMNA
SCHEMBL13744614 0.75 NPC1 (0.56) TAAR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL28762492 0.74 NPC1 (0.71) TAAR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14454238 0.74 RAB9A (0.81) TAAR1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6072210 0.73 HIF1A (0.59) RAB9ANPC1SMN1; SMN2KDM4EKDM5A
SCHEMBL30131466 0.73 KMT2A (0.69) RAB9ANPC1SMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028452-A1 PYRIDO[4,3-d]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2011-02-03 US disclosed
US-20110028452-A1 PYRIDO[4,3-d]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2011-02-03 US disclosed
US-20110028452-A1 PYRIDO[4,3-d]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2011-02-03 US disclosed
US-7829572-B2 Pyrido[4,3-d]pyrimidin-4(3H)-one derivatives as calcium receptor antagonists PFIZER INC (US) 2010-11-09 US disclosed
US-7829572-B2 Pyrido[4,3-d]pyrimidin-4(3H)-one derivatives as calcium receptor antagonists PFIZER INC (US) 2010-11-09 US disclosed
US-7829572-B2 Pyrido[4,3-d]pyrimidin-4(3H)-one derivatives as calcium receptor antagonists PFIZER INC (US) 2010-11-09 US disclosed
EP-2079739-A2 PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2009-07-22 EP disclosed
US-20080085887-A1 PYRIDO [4,3-d] PYRIMIDIN-4 (3H) -ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2008-04-10 US disclosed
US-20080085887-A1 PYRIDO [4,3-d] PYRIMIDIN-4 (3H) -ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2008-04-10 US disclosed
US-20080085887-A1 PYRIDO [4,3-d] PYRIMIDIN-4 (3H) -ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER INC 2008-04-10 US disclosed
WO-2008041118-A2 PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-04-10 WO disclosed
WO-2008041118-A2 PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-04-10 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 (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-20080085887-A1 PYRIDO [4,3-d] PYRIMIDIN-4 (3H) -ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PTH1R, VDR, P2RY1 TAAR1 762/4885RAB9A 1225/4885NPC1 4546/4885
US-20110028452-A1 PYRIDO[4,3-d]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PTH1R, VDR, P2RY1 TAAR1 762/4885RAB9A 1225/4885NPC1 4546/4885

“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.