SCHEMBL393631

SCHEMBL393631

CC(=O)Nc1nc(C)[c]s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
DYRK1A Q13627 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GLS O94925 1/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL2201403 0.65
SCHEMBL9852284 0.65 SMN1; SMN2 (0.53) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL155142 0.65 RAB9A (0.57) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11831966 0.65 POLB (0.44) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL14960416 0.64 KMT2A (0.59) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL629408 0.64 CA1 (0.62) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL2070478 0.64 TSHR (0.34) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL48394 0.64 MAPT (0.66) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL989627 0.64
SCHEMBL19994395 0.64 MAPT (0.66) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168322-A1 NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-02 US claimed
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US claimed
WO-2020018944-A1 NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-23 WO claimed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO claimed
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP claimed
EP-1235595-B1 INTEGRIN-MEDIATED DRUG TARGETING ALBERS MARKUS (DE) 2009-08-05 EP claimed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US claimed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP claimed
EP-0093591-B1 SELECTIVE SULFONATION PROCESS ELI LILLY AND COMPANY (US) 1986-01-15 EP claimed
EP-0093591-A1 Selective sulfonation process ELI LILLY AND COMPANY (US) 1983-11-09 EP claimed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US claimed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US claimed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US claimed
US-4136253-A ANTIBIOTICS PFIZER INC. (US) 1979-01-23 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 (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-20220168322-A1 NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY JAK2, STAT3, STAT5B MAPT 4449/4885ALDH1A1 3826/4885HPGD 4109/4885
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 MAPT 4878/4885ALDH1A1 3778/4885HPGD 694/4885

“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.