SCHEMBL568945

SCHEMBL568945

CSc1nc(C(=O)O)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALOX15 P16050 4/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HCAR2 Q8TDS4 2/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ELANE P08246 1/20 0.33
NAPRT Q6XQN6 2/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL23714004 0.82 DAGLA (0.30)
SCHEMBL14805684 0.79 CES1 (0.33) CES1MEN1KMT2AKDM4EALOX15
SCHEMBL1807276 0.73 CES1 (0.45) CES1KDM4EALOX15TSHRTDP1
SCHEMBL22551275 0.73 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1HDAC1
SCHEMBL222642 0.72
SCHEMBL28945959 0.72
SCHEMBL23021251 0.72 HDAC1 (0.37) CES1KDM4EALOX15TSHRTDP1
SCHEMBL31604709 0.71 ALDH1A1 (0.50) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL159215 0.70
SCHEMBL18335237 0.70 CES1 (0.49) CES1KDM4EALOX15TSHRTDP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183470-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 WO disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (6 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CES1 415/4885MEN1 2604/4885KMT2A 2845/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CES1 415/4885MEN1 2604/4885KMT2A 2845/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B CES1 141/4885MEN1 4082/4885KMT2A 2823/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B CES1 141/4885MEN1 4082/4885KMT2A 2823/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CES1 340/4885MEN1 1895/4885KMT2A 4793/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CES1 447/4885MEN1 2598/4885KMT2A 2839/4885

“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.