SCHEMBL416634

SCHEMBL416634

N#Cc1ccc(NC(=O)c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 2/20 0.45
MLLT1 Q03111 1/20 0.40
NAMPT P43490 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 2/20 0.38
ESR1 P03372 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DPP4 P27487 1/20 0.38
MAPK1 P28482 1/20 0.37
MLYCD O95822 1/20 0.37
RPS6KA3 P51812 2/20 0.37
OPRK1 P41145 1/20 0.36
F2RL1 P55085 2/20 0.36
F2RL3 Q96RI0 1/20 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
SCHEMBL419888 0.82 HRH3 (0.36) LRRK2
SCHEMBL419641 0.81 HRH4 (0.37) MEN1KMT2A
SCHEMBL419248 0.80 TSHR (0.37) NPC1RAB9ALMNAMAPK1
SCHEMBL416633 0.80 RPS6KA2 (0.47) RPS6KA2MLLT1NAMPTNPC1RAB9A
SCHEMBL419837 0.80 HRH4 (0.38) LRRK2
SCHEMBL417644 0.76 GRM2 (0.38) RAB9AMEN1KMT2AMAPK1
SCHEMBL422655 0.76 ALDH1A1 (0.43) LMNA
SCHEMBL420166 0.75 ALDH1A1 (0.44) LMNA
SCHEMBL422755 0.75 HRH4 (0.39) RAB9AMEN1KMT2AMAPK1
SCHEMBL417387 0.75 SCN7A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 RPS6KA2 3037/4885MLLT1 3344/4885NAMPT 2534/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 RPS6KA2 3037/4885MLLT1 3344/4885NAMPT 2534/4885

“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.