SCHEMBL4829311

SCHEMBL4829311

Cc1ccc(-c2c(C=O)cnn2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
DUSP3 P51452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 8/20 0.40
ALDH1A1 P00352 6/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KMT2A Q03164 3/20 0.39
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 7/20 0.37
HPGD P15428 5/20 0.37
PDE2A O00408 4/20 0.37
CYP2A6 P11509 1/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL3630473 0.85 NR3C2 (0.41) ALDH1A1PRMT5WDR77KMT2AHIF1A
SCHEMBL4829107 0.85 PRMT5 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1PRMT5
SCHEMBL4836369 0.85 PTGS2 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4836837 0.84 LMNA (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1PRMT5
SCHEMBL4831072 0.82 MEN1 (0.44) ALDH1A1PRMT5WDR77KMT2AKDM4E
SCHEMBL4831559 0.81 PDE2A (0.42) ALDH1A1KDM4EHPGDPDE2ALMNA
SCHEMBL27632007 0.81 BPTF (0.40) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL4833248 0.80 CCNC (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL4833261 0.80 CCNC (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL16194462 0.79 ALDH1A3 (0.46) KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 US disclosed
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 US disclosed
WO-2012168817-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PFIZER INC. (US) 2012-12-13 WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (3 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-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PDE12, PDE2A, CYP1A2 RAB9A 1844/4885SMN1; SMN2 1173/4885DUSP3 920/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885SMN1; SMN2 75/4885DUSP3 4531/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885SMN1; SMN2 75/4885DUSP3 4531/4885

“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.