SCHEMBL1178776

SCHEMBL1178776

Nc1ccnc(C(F)(F)F)c1C(=O)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MLYCD O95822 2/20 0.48
KDM4E B2RXH2 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
HDAC4 P56524 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1178732 0.81 TAAR1 (0.55) RAB9ANPC1KDM4EKDM5AKDM5C
SCHEMBL3957622 0.79 RAB9A (0.58) HTTHSD17B10RAB9ANPC1MLYCD
SCHEMBL1178494 0.78 HTT (0.55) HTTHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL3962971 0.74 NPC1 (0.52) RAB9ANPC1MLYCDL3MBTL1TAAR1
SCHEMBL14454238 0.74 RAB9A (0.81) RAB9ANPC1MLYCDSMN1; SMN2L3MBTL1
SCHEMBL27759694 0.73 HTT (0.59) HTTHSD17B10RAB9ANPC1KDM4E
SCHEMBL3957624 0.72 HTT (0.50) HTTHSD17B10KDM4ESMN1; SMN2KMT2A
SCHEMBL4757611 0.72 NPC1 (0.52) RAB9ANPC1MLYCDKDM4ESMN1; SMN2
SCHEMBL4897091 0.71 LMNA (0.53) RAB9ANPC1KDM4ESMN1; SMN2HDAC4
SCHEMBL21586307 0.70 RAB9A (0.63) HTTRAB9ANPC1KDM4EKDM5A

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 HTT 2611/4885HSD17B10 4759/4885RAB9A 1225/4885
US-20110028452-A1 PYRIDO[4,3-d]PYRIMIDIN-4(3H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PTH1R, VDR, P2RY1 HTT 2611/4885HSD17B10 4759/4885RAB9A 1225/4885

“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.