SCHEMBL16392007

SCHEMBL16392007

CC(C)Nc1cc(Nc2ccncc2)nc(-c2ccccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
CYP1A2 P05177 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.51
LMNA P02545 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
USP2 O75604 1/20 0.51
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
MAPK14 Q16539 3/20 0.42
TGFBR1 P36897 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 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
SCHEMBL16391961 0.91 ABCG2 (0.54) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL16392231 0.85 ABCB1 (0.48) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL16391901 0.82 ABCG2 (0.69) MEN1KMT2AABCB1ABCC1ABCG2
SCHEMBL15095054 0.81 KCNH3 (0.56) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL29560701 0.81 KCNH3 (0.56) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL16391822 0.79 ABCG2 (0.65) MEN1KMT2AALDH1A1ABCB1ABCC1
SCHEMBL16392201 0.79 ABCG2 (0.53) MEN1KMT2AABCB1ABCC1ABCG2
SCHEMBL16391966 0.77 ABCG2 (0.50) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL16391883 0.76 ABCG2 (0.55) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL16392197 0.74 ABCG2 (0.53) MEN1KMT2ACYP1A2ALDH1A1CYP3A4

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
EP-3019480-B1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 US disclosed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 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-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A MEN1 1923/4885KMT2A 329/4885CYP1A2 197/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A MEN1 1923/4885KMT2A 329/4885CYP1A2 197/4885

“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.