SCHEMBL2113284

SCHEMBL2113284

CN(C)CCCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
SYK P43405 2/20 0.51
IDH2 P48735 4/20 0.49
CTSC P53634 6/20 0.47
AURKA O14965 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2115697 0.86 KMT2A (0.45) KDM4ESYKMAPTRAB9A
SCHEMBL5520429 0.85 AURKA (0.47) AURKAMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL2113939 0.84 SLC2A1 (0.47) AURKAMAPTALDH1A1RAB9A
SCHEMBL2116231 0.83 CDK5 (0.48) SYK
SCHEMBL2114912 0.83 KMT2A (0.44) KDM4ESYKMAPTRAB9A
SCHEMBL5531106 0.82 KDM4E (0.50) KDM4ESYKIDH2CTSCAURKA
SCHEMBL4352726 0.82 SYK (0.50) SYKAURKALMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL2115769 0.82 KDM4E (0.49) KDM4ESYKIDH2CTSCAURKA
Hydrochloric Acid SCHEMBL2115240 0.81 SYK (0.49) SYKAURKALMNAMAPTRAB9A
SCHEMBL2113629 0.79 KMT2A (0.46) KDM4ESYKMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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 (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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KDM4E 841/4885SYK 1684/4885IDH2 1582/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KDM4E 841/4885SYK 1684/4885IDH2 1582/4885

“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.