SCHEMBL16460100

SCHEMBL16460100

O=C(c1ccncc1)c1ccccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.78
MEN1 O00255 2/20 0.61
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
HSD17B14 Q9BPX1 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
GSK3B P49841 1/20 0.48
LTA4H P09960 1/20 0.47
MAPT P10636 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
SCHEMBL31135050 1.00 KMT2A (0.78) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL29373829 0.88 KMT2A (1.00) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL398165 0.88 KMT2A (1.00) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL28005707 0.86 KMT2A (0.96) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL28015961 0.86 KMT2A (0.96) KMT2AMEN1CES2CES1L3MBTL1
Pyridine SCHEMBL28019201 0.83 KMT2A (0.70) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL31369148 0.83 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL87791 0.83 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL13600090 0.82 KMT2A (0.81) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL29571462 0.82 KMT2A (0.75) KMT2AMEN1CES2CES1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4477217-A1 LONG-LASTING ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE AGENTS AND ANIONIC EXCIPIENTS AND USES Universidade Federal De Minas Gerais - UFMG (BR) 2024-12-18 EP disclosed
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP disclosed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP disclosed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US disclosed
EP-3057950-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9403816-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-08-02 US disclosed
US-9309222-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-04-12 US disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 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 (4 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA KMT2A 995/4885MEN1 4518/4885CES2 4223/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA KMT2A 1278/4885MEN1 4510/4885CES2 4343/4885
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KMT2A 1790/4885MEN1 4667/4885CES2 4371/4885
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB KMT2A 1766/4885MEN1 4478/4885CES2 4163/4885

“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.