SCHEMBL6446282

SCHEMBL6446282

CCc1n[nH]c(C(=O)NCc2ccccn2)c1N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK10 P53779 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
ADORA2A P29274 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
CA2 P00918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6447518 0.91 RAB9A (0.51) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL6447257 0.82 KDM4E (0.50) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL6202272 0.82 CYP1A2 (0.54) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL6446674 0.76 CYP1A2 (0.52) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL6442196 0.76 CHRM4 (0.39) RAB9AMAPK1ADORA2A
Hydrochloric Acid SCHEMBL7991715 0.73 SMN1; SMN2 (0.54) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL8404650 0.70 LMNA (0.70) RAB9AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL27023255 0.70 ADORA2A (0.59) RAB9AHSD17B10KDM4EMAPK10ALDH1A1
SCHEMBL11625676 0.70 LMNA (0.74) RAB9AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL6093501 0.70 HPGD (0.69) RAB9AHSD17B10KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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 (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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B RAB9A 1101/4885HSD17B10 505/4885KDM4E 1840/4885

“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.