SCHEMBL1369233

SCHEMBL1369233

Cc1nc2c(cc1Br)NCCN2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
UHRF1 Q96T88 1/20 0.33

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
SCHEMBL20153295 0.80 UHRF1 (0.39) UHRF1
SCHEMBL21281636 0.76 UHRF1 (0.33) UHRF1
SCHEMBL16195787 0.73 UHRF1 (0.45) ALDH1A1LMNAHPGDAPOBEC3GUHRF1
SCHEMBL21281643 0.67 UHRF1 (0.35) UHRF1
SCHEMBL2258481 0.66 NQO2 (0.46) ALDH1A1LMNAHPGDAPOBEC3G
SCHEMBL20153299 0.65 UHRF1 (0.40) UHRF1
SCHEMBL20595712 0.64 HTT (0.34) ALDH1A1LMNAAPOBEC3G
SCHEMBL19908287 0.64 ALDH1A1 (0.35) ALDH1A1UHRF1
SCHEMBL6610349 0.64 PDK2 (0.32) UHRF1
SCHEMBL15436200 0.62 ALDH1A1 (0.31) ALDH1A1LMNAHPGDAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
US-20160280688-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 US disclosed
EP-3049407-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044174-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (3 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-20160280688-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ALDH1A1 1093/4885LMNA 1453/4885HPGD 408/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885LMNA 4181/4885HPGD 1908/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885LMNA 4181/4885HPGD 1908/4885

“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.