SCHEMBL309036

SCHEMBL309036

O=C(O)c1cnn2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.58
HTT P42858 1/20 0.57
HSD11B1 P28845 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMPD3 Q9NY59 1/20 0.55
AXL P30530 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NLRP3 Q96P20 1/20 0.53
MAPT P10636 1/20 0.52
STING1 Q86WV6 1/20 0.52

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
Hydrochloric Acid SCHEMBL30152392 0.98 IRAK4 (0.57) IRAK4HTTHSD11B1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL31474423 0.98 IRAK4 (0.57) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL10042194 0.86 HTT (0.58) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL946897 0.86 IRAK4 (0.68) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL309358 0.86 HSD11B1 (0.57) IRAK4HTTHSD11B1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL19030927 0.84 HSD11B1 (0.56) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL10554596 0.84 IRAK4 (0.57) IRAK4HTTSMN1; SMN2NPC1RAB9A
SCHEMBL23807849 0.84 SMPD3 (0.53) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL30798522 0.83 HTT (0.63) IRAK4HTTHSD11B1SMN1; SMN2NPC1
SCHEMBL20347030 0.82 IRAK4 (0.52) IRAK4HTTHSD11B1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP claimed
US-20260146044-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF INCRELAND (CN) 2026-05-28 US disclosed
EP-4746966-A1 4-AMINO-2,6-BIS(PHENYLMETHYLENE)CYCLOHEXANONES AND THEIR USE Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2026-05-27 EP disclosed
EP-4745142-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Increland (CN) 2026-05-20 EP disclosed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
EP-4725946-A1 IRAK4 DEGRADATION AGENT AND USE THEREOF Guangzhou Unirise Pharmaceutical Co., Ltd. (CN) 2026-04-15 EP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2026-02-12 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
EP-0244166-A2 Heterocyclic acetyl sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-04 EP 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 (7 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-20260146044-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF IRAK4, IRAK2, IRAK1 IRAK4 1/4885HTT 2156/4885HSD11B1 727/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 IRAK4 480/4885HTT 2091/4885HSD11B1 3822/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH IRAK4 2233/4885HTT 3651/4885HSD11B1 86/4885
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK4 IRAK4 3/4885HTT 4417/4885HSD11B1 1060/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 IRAK4 79/4885HTT 4830/4885HSD11B1 492/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 IRAK4 403/4885HTT 4719/4885HSD11B1 2295/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS IRAK4 3593/4885HTT 2314/4885HSD11B1 2761/4885

“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.