SCHEMBL19686048

SCHEMBL19686048

Clc1cccc(Nc2nc3cnc(NC4CCOCC4)nc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ERN1 O75460 1/20 0.44
PAK4 O96013 2/20 0.43
CTSV O60911 1/20 0.42
PLAT P00750 1/20 0.42
CTSL P07711 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
CASP14 P31944 1/20 0.42
CTSK P43235 1/20 0.42
CASP6 P55212 1/20 0.42
CTSZ Q9UBR2 1/20 0.42
CNR2 P34972 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL19685543 0.82 GRM5 (0.39) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8317806 0.79 EGFR (0.58) MAPK1CSNK2A2CSNK2BCSNK2A1
SCHEMBL23317835 0.78 MAPK1 (0.44) MAPK1ERN1CDK2MAPK3MAPK8
SCHEMBL23317765 0.78 MAPK1 (0.44) MAPK1ERN1CDK2MAPK3MAPK8
SCHEMBL23317880 0.76 MAPK14 (0.45) MAPK1ERN1CDK2MAPK3MAPK8
SCHEMBL19689004 0.75 GRM5 (0.42) CSNK2A2CSNK2BCSNK2A1CNR2CYP3A4
SCHEMBL19685999 0.75 GRM5 (0.42) CSNK2A2CSNK2BCSNK2A1CNR2CYP3A4
SCHEMBL19686046 0.74 MAPK9 (0.58) MAPK1ERN1MAPK3MAPK8
SCHEMBL8315938 0.73 BRAF (0.58) CSNK2A2CSNK2BCSNK2A1
SCHEMBL23368495 0.73 CTSC (0.40) MAPK1ERN1CDK2MAPK3MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 US disclosed
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 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 (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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MAPK1 811/4885CSNK2A2 2409/4885CSNK2B 2654/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MAPK1 811/4885CSNK2A2 2409/4885CSNK2B 2654/4885

“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.