SCHEMBL658672

SCHEMBL658672

Cc1nc(-c2cnccn2)sc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
KMT2A Q03164 1/20 0.65
CDC7 O00311 1/20 0.58
DBF4 Q9UBU7 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
BRAF P15056 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 1/20 0.45
TARBP2 Q15633 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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 SCHEMBL19119532 0.98 KDM4E (0.63) KDM4EKMT2ACDC7DBF4SMN1; SMN2
SCHEMBL1574366 0.88 ALDH1A1 (0.65) KDM4EKMT2ACDC7DBF4RAB9A
SCHEMBL192423 0.87 CDC7 (0.56) KDM4EKMT2ACDC7DBF4GAA
SCHEMBL5207178 0.87 CYP1A2 (0.60) KDM4EKMT2ACDC7DBF4GAA
SCHEMBL13407998 0.85 KDM4E (0.67) KDM4EKMT2ACDC7DBF4SMN1; SMN2
SCHEMBL13389342 0.83 CDC7 (0.53) KDM4EKMT2ACDC7DBF4GAA
SCHEMBL6114337 0.83 CDC7 (0.56) KDM4EKMT2ACDC7DBF4GAA
SCHEMBL13178517 0.82 CDC7 (0.81) KDM4ECDC7DBF4SMN1; SMN2ALDH1A1
SCHEMBL596082 0.79 KDM4E (1.00) KDM4EKMT2ASMN1; SMN2RAB9AGAA
SCHEMBL17790299 0.78 HTT (0.54) KDM4EKMT2ACDC7DBF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US claimed
US-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 US claimed
CN-1933841-A Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN claimed
US-20070010520-A1 Triazolopyrazines and methods of making and using the same BIOGEN IDEC MA INC. 2007-01-11 US claimed
EP-1740185-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING RSV INFECTION Arrow Therapeutics Limited (GB) 2007-01-10 EP claimed
EP-1727551-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
EP-1615931-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2006-01-18 EP claimed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2004092177-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO 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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 KDM4E 4254/4885KMT2A 3735/4885CDC7 4649/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 KDM4E 3243/4885KMT2A 1471/4885CDC7 3183/4885
US-20070010520-A1 Triazolopyrazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 KDM4E 1661/4885KMT2A 1142/4885CDC7 2277/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 KDM4E 3844/4885KMT2A 1496/4885CDC7 4551/4885

“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.