SCHEMBL416633

SCHEMBL416633

N#Cc1ccc(NC(=O)c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 2/20 0.47
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MLLT1 Q03111 1/20 0.42
ROCK2 O75116 2/20 0.42
LRRK2 Q5S007 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7886728 0.93 KDM4E (0.49) RPS6KA2DPP4KDM4EMAPTALDH1A1
SCHEMBL419887 0.82 HRH3 (0.48) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL419640 0.81 HRH3 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10176805 0.81 TP53 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL416634 0.80 RPS6KA2 (0.45) RPS6KA2DPP4NPC1RAB9AMLLT1
SCHEMBL419836 0.80 CCNT1 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL419247 0.80 HCAR3 (0.44) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL420920 0.79 HRH3 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL421093 0.78 HRH3 (0.41) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL421284 0.78 HRH3 (0.41) KDM4EMAPTALDH1A1SMN1; SMN2NPC1

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 3037/4885DPP4 522/4885KDM4E 1889/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 RPS6KA2 3037/4885DPP4 522/4885KDM4E 1889/4885

“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.