SCHEMBL14217246

SCHEMBL14217246

CNc1cc(N2CCN(c3ccc(C)cc3)CC2)c(Cl)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
RAD52 P43351 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
C1S P09871 1/20 0.38
ADRB1 P08588 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9899402 0.85 DHFR (0.45) DHFRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9899891 0.81 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9899360 0.80 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL14217244 0.79 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9900016 0.76 ALDH1A1 (0.43) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL14217256 0.76 ALDH1A1 (0.57) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9900138 0.73 DHFR (0.44) DHFRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL21845822 0.72 MEN1 (0.45) DHFRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9900429 0.72 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21261381 0.68 ADRA2C (0.62) DHFRMEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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 (1 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES DHFR 818/4885MEN1 4309/4885KMT2A 3417/4885

“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.