SCHEMBL2115181

SCHEMBL2115181

Cc1ccc(Nc2ncc(CCCN(C)C)c(N)n2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
STK17B O94768 2/20 0.46
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
JAK2 O60674 1/20 0.42
MAPT P10636 6/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
PDGFRB P09619 3/20 0.41
KDR P35968 3/20 0.41
PLK1 P53350 3/20 0.41
PLK3 Q9H4B4 3/20 0.41
ULK1 O75385 1/20 0.39
LMNA P02545 3/20 0.38

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
SCHEMBL2114842 0.97 STK17A (0.47) STK17AL3MBTL1KDM4EGAASTK17B
SCHEMBL2117618 0.93 L3MBTL1 (0.50) STK17AL3MBTL1KDM4EGAASTK17B
SCHEMBL2111997 0.87 RAB9A (0.45) NPC1RAB9AJAK2MAPTPDGFRB
SCHEMBL5520429 0.85 AURKA (0.47) L3MBTL1NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL2113939 0.84 SLC2A1 (0.47) L3MBTL1NPC1RAB9AMAPTTP53
SCHEMBL2117157 0.83 NPC1 (0.50) STK17AGAASTK17BKMT2ANPC1
SCHEMBL2114724 0.83 RAB9A (0.44) L3MBTL1NPC1RAB9AJAK2MAPT
SCHEMBL2113275 0.83 MEN1 (0.45) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL5527171 0.83 L3MBTL1 (0.47) STK17AL3MBTL1KDM4EGAASTK17B
SCHEMBL2115697 0.82 KMT2A (0.45) L3MBTL1KDM4EKMT2ANPC1RAB9A

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 STK17A 651/4885L3MBTL1 3888/4885KDM4E 841/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG STK17A 651/4885L3MBTL1 3888/4885KDM4E 841/4885

“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.