SCHEMBL16280403

SCHEMBL16280403

CC(C)(C)c1cc(N)n(-c2cc(F)cc(CO)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 7/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CDK8 P49336 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 3/20 0.32
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
MAPK11 Q15759 3/20 0.32
MAPT P10636 1/20 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
SCHEMBL2250256 0.85 KDM4E (0.41) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL16279951 0.82 KDM4E (0.37) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL2534681 0.80 MAPK14 (0.47) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL2080021 0.80 MAPK14 (0.47) ALDH1A1MAPK14GRNSORT1MAPK13
Hydrochloric Acid SCHEMBL2082972 0.78 MAPK14 (0.47) ALDH1A1MAPK14GRNSORT1MAPK13
SCHEMBL274692 0.75 NPC1 (0.57) KDM4EMEN1NPC1LMNARAB9A
SCHEMBL16279973 0.75 PTGS2 (0.43) CDK8TRPV1
SCHEMBL16280160 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EMAPK14GRNSORT1
SCHEMBL31388010 0.74 MAPK14 (0.48) ALDH1A1MEN1NPC1LMNARAB9A
SCHEMBL1014042 0.74 CYP11B2 (0.39) KDM4EMEN1NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 EP disclosed
EP-3004097-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2018-01-17 EP disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
EP-3004097-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-04-13 EP disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 US disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 US disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 US disclosed
US-9181242-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-10 US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
US-20140364412-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 US disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 WO disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 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-20160016953-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2242/4885KDM4E 4644/4885MEN1 4735/4885
US-20140364412-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2242/4885KDM4E 4644/4885MEN1 4735/4885

“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.