SCHEMBL18319794

SCHEMBL18319794

O=c1c(Cl)nc2ccc(Cl)nc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 6/20 0.44
CYP2C9 P11712 6/20 0.44
CYP2C19 P33261 6/20 0.44
CYP3A4 P08684 4/20 0.43
USP2 O75604 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 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
SCHEMBL18319731 0.78 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2LMNAPOLBCYP1A2
SCHEMBL14472561 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL5293593 0.71 PDE5A (0.41) ALDH1A1POLBCYP1A2CYP2C9CYP3A4
SCHEMBL18319408 0.70 APLNR (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL12895971 0.68 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL18319512 0.68 APLNR (0.38)
SCHEMBL644097 0.67 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL9700338 0.67 RAB9A (0.40) ALDH1A1SMN1; SMN2LMNARAB9APDE4D
SCHEMBL5545639 0.66 KDM4E (0.67) ALDH1A1SMN1; SMN2LMNARAB9APDE4A
SCHEMBL9952997 0.66 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNARAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
WO-2016203335-A1 NOVEL PYRIDO[2,3-B]PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 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 (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-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS BRD4, BRD3, BET1 ALDH1A1 3909/4885SMN1; SMN2 4137/4885LMNA 2907/4885

“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.