SCHEMBL113374

SCHEMBL113374

Cc1cn2c(CC(=O)N3CCN(c4ccccc4C(=O)Nc4ccncc4)CC3)csc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.40
LMNA P02545 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.36
DNM1L O00429 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL13097268 0.85 TYK2 (0.40) TYK2LMNATRPV1SMN1; SMN2POLB
SCHEMBL161619 0.82 MAPT (0.35) LMNASMN1; SMN2TSHRALDH1A1HTT
SCHEMBL112787 0.80 TYK2 (0.43) TYK2LMNATRPV1SMN1; SMN2POLB
SCHEMBL111377 0.80 CXCR3 (0.46) TYK2LMNATRPV1SMN1; SMN2ALDH1A1
SCHEMBL114399 0.77 ALDH1A1 (0.43) TYK2LMNATRPV1SMN1; SMN2POLB
SCHEMBL157316 0.76 HPGD (0.43) LMNATRPV1SMN1; SMN2POLBTSHR
SCHEMBL111958 0.76 TYK2 (0.45) TYK2LMNATRPV1SMN1; SMN2ALDH1A1
SCHEMBL3105119 0.75 TRPV1 (0.50) TYK2TRPV1SMN1; SMN2POLBALDH1A1
SCHEMBL113517 0.75 KDM4E (0.46) LMNASMN1; SMN2POLBTSHRALDH1A1
SCHEMBL112720 0.75 TRPV1 (0.42) TYK2LMNATRPV1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US 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 (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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 TYK2 1297/4885LMNA 3677/4885TRPV1 332/4885

“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.