SCHEMBL368379

SCHEMBL368379

Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CDK8 P49336 1/20 0.43
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
PRKCZ Q05513 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40

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
Hydrochloric Acid SCHEMBL4074918 0.99 MEN1 (0.50) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL29396544 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL16280011 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL4199674 0.84 PRKCZ (0.48) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL16279767 0.84 PRKCZ (0.42) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL31165906 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL21436696 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL10363266 0.82 RAB9A (0.49) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL5733233 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1CDK8MAPK14
SCHEMBL1283896 0.81 CDK8 (0.47) MEN1KMT2AALDH1A1CDK8MAPK14

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 18 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
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP 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 MEN1 4735/4885KMT2A 4277/4885ALDH1A1 2242/4885
US-20140364412-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 MEN1 4735/4885KMT2A 4277/4885ALDH1A1 2242/4885

“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.