Sugi Predict

Sugi Predict / Compounds / SCHEMBL1362405

SCHEMBL1362405

SCHEMBL1362405

O=COCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ ABCB1 P08183 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LIN28A Q9H9Z2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ SYK P43405 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TLR4 O00206 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ FDPS P14324 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
Hydrochloric Acid SCHEMBL28179473 0.98 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5252807 0.81 HRH1 (0.50) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
SCHEMBL27625436 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2128007 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
Bromide SCHEMBL28768599 0.79 CA12 (0.49) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
Hydrochloric Acid SCHEMBL27562976 0.79 CA12 (0.49) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
SCHEMBL4334489 0.78 HRH1 (0.50) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
Ethoxycarbonyl Group SCHEMBL27921478 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
SCHEMBL10463954 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5536480 0.77 HRH1 (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284510-A Metallocene catalyst, preparation method and application thereof 万华化学集团股份有限公司 2023-06-23 — — CN claimed
CN-105164131-B Tricyclic heterocycles as BET protein inhibitors 因赛特公司 2018-12-28 — — CN claimed
CN-106146615-A Imidazopyridine-6-formyl-amino-acid benzyl ester, its synthesis, activity and application 首都医科大学 2016-11-23 — — CN claimed
US-8530650-B2 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer MERCK PATENT GMBH (DE) 2013-09-10 — — US claimed
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 — — EP claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 — — US claimed
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 — — EP claimed
CN-101998853-A Thienopyridone derivatives as AMP-activated protein kinase (AMPK) activators MERCK PATENT GMBH 2011-03-30 — — CN claimed
WO-2010063352-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2010-06-10 — — WO claimed
CN-101484163-A 2-Benzoyl-imidazopyridine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-07-15 — — CN claimed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 — — WO claimed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 — — US claimed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 — — US claimed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 — — US claimed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 — — US claimed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 — — US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 — — US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 — — US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 — — US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 — — US claimed

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-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B SMN1; SMN2 3770/4885ALDH1A1 2393/4885KDM4E 1758/4885

“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.