SCHEMBL11915952

SCHEMBL11915952

CC(C)(C)n1nnnc1-n1cccn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ NPSR1 Q6W5P4 5/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TDO2 P48775 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12147160 0.77 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL21379803 0.73 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL12145803 0.72 POLB (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11919086 0.72 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4412005 0.62 ALDH1A1 (0.39) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL28661523 0.62 TDO2 (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL17476686 0.61 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11146813 0.61 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL12320460 0.61 LPO (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL15221306 0.60 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885MEN1 2993/4885KMT2A 1177/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALDH1A1 4596/4885MEN1 1214/4885KMT2A 2717/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 ALDH1A1 2111/4885MEN1 1089/4885KMT2A 408/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4677/4885MEN1 826/4885KMT2A 1452/4885

“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.

Send feedback