SCHEMBL1483695

SCHEMBL1483695

Clc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
PIM1 P11309 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP19A1 P11511 3/20 0.38
MGLL Q99685 3/20 0.37
RET P07949 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36

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
SCHEMBL1424267 0.86 PIM1 (0.39) KDM4EPIM1ALDH1A1MAPTCYP19A1
SCHEMBL1425629 0.83 CDK5 (0.46) PIM1CYP19A1RETCDK5CDK5R1
SCHEMBL1422576 0.83 MAPT (0.41) KDM4EPIM1MEN1KMT2ANPC1
SCHEMBL1484070 0.80 CYP1A1 (0.45) KDM4EPIM1ALDH1A1MAPTCYP19A1
SCHEMBL12829963 0.80 CYP2D6 (0.47) KDM4EPIM1MAPTRAB9ACYP1A2
SCHEMBL1484213 0.80 MAPT (0.37) KDM4EPIM1ALDH1A1MAPTCYP1A2
SCHEMBL1422658 0.79 PIM1 (0.40) KDM4EPIM1MEN1KMT2ANPC1
SCHEMBL1484034 0.79 IDO1 (0.48) KDM4EPIM1ALDH1A1CYP19A1CDK5
SCHEMBL1484245 0.79 KDM4E (0.41) KDM4EPIM1MEN1KMT2ANPC1
SCHEMBL1423047 0.79 CYP1A2 (0.37) KDM4EPIM1MEN1KMT2AALDH1A1

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
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 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 (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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 KDM4E 1666/4885PIM1 489/4885MEN1 2014/4885

“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.