SCHEMBL4766191

SCHEMBL4766191

CNC(=O)c1cccnc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.71
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
PLK1 P53350 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL13244599 0.85 P2RX7 (0.71) P2RX7GAALMNAKDM4EL3MBTL1
SCHEMBL113365 0.83 P2RX7 (1.00) P2RX7KDM4EL3MBTL1KMT2AEGFR
SCHEMBL17590220 0.82 P2RX7 (0.62) P2RX7GAALMNAKDM4EL3MBTL1
SCHEMBL93650 0.81 GAA (0.48) P2RX7GAATP53PLK1POLB
SCHEMBL161745 0.81 GAA (0.48) P2RX7GAATP53PLK1POLB
SCHEMBL23034528 0.80 P2RX7 (0.65) P2RX7KDM4EL3MBTL1KMT2AEGFR
SCHEMBL4414277 0.80 P2RX7 (0.70) P2RX7GAATP53KDM4EL3MBTL1
SCHEMBL268817 0.80 P2RX7 (0.65) P2RX7GAAPOLBKDM4EL3MBTL1
SCHEMBL268777 0.80 P2RX7 (0.65) P2RX7LMNAL3MBTL1KMT2AHPGD
SCHEMBL5418289 0.80 P2RX7 (0.70) P2RX7GAALMNAKDM4EL3MBTL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
WO-2026041386-A1 ANHYDROUS COMPOSITION COMPRISING MONOESTERS AND MAINLY PETROLATUM UNILEVER IP HOLDINGS B.V. (NL) 2026-02-26 WO disclosed
EP-4565568-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2025-06-11 EP disclosed
WO-2025078576-A1 CLEANSING LAMELLAR COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2025-04-17 WO disclosed
WO-2025078618-A1 CLEANSING LAMELLAR COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2025-04-17 WO disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
EP-3153167-B1 SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2019-10-02 EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-6465486-B1 ALPHA2 ADRENOCEPTOR MODULATORS; HYPERTENSION, GLAUCOMA, SEXUAL DYSFUNCTION, DEPRESSION, ATTENTION DEFICIT HYPERACTIVITY DISORDER, PARKINSONISM, NEED FOR ANESTHESIA, CARDIAC ARRYTHMIA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-15 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4329349-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1982-05-11 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 P2RX7 319/4885GAA 4736/4885TP53 2427/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 P2RX7 650/4885GAA 4801/4885TP53 3037/4885

“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.