SCHEMBL19666286

SCHEMBL19666286

CC1(Nc2ncc3nc(Nc4cccc(Cl)c4)n(-c4ccc(CNC(=O)O)cc4)c3n2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.39
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT6 P42226 1/20 0.37
ALK Q9UM73 1/20 0.37
CNR1 P21554 2/20 0.37
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL29717716 0.90 BRD4 (0.40) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL29717615 0.88 FLT3 (0.41) CYP2C9CYP2C19CYP3A4CYP1A2MAPK1
SCHEMBL19666502 0.88 FLT3 (0.41) CYP2C9CYP2C19CYP3A4CYP1A2MAPK1
SCHEMBL19686002 0.80 GAA (0.49) CYP2C9CYP2C19CYP3A4CYP1A2MAPK1
SCHEMBL19666593 0.80 CNR2 (0.44) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19666350 0.80 CNR2 (0.44) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19666356 0.80 CNR2 (0.44) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19666531 0.78 MAPK9 (0.41) CNR2CYP3A4CYP1A2ALKJAK1
SCHEMBL19666561 0.78 EGFR (0.44) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19666555 0.78 EGFR (0.44) CNR2CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 EP disclosed
US-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 WO disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 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 (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-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC CNR2 3811/4885CYP2C9 2992/4885CYP2C19 2565/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC CNR2 3811/4885CYP2C9 2992/4885CYP2C19 2565/4885
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC CNR2 3811/4885CYP2C9 2992/4885CYP2C19 2565/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC CNR2 3811/4885CYP2C9 2992/4885CYP2C19 2565/4885

“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.