Sugi Predict

Sugi Predict / Compounds / SCHEMBL422495

SCHEMBL422495

SCHEMBL422495

COc1ccnc(Nc2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ SYK P43405 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ KDR P35968 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ USP2 O75604 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL421261 0.93 CDK4 (0.35) BRD4SYKCDK2GSK3BCDK4
SCHEMBL422605 0.81 TP53 (0.33) MAPTKDM4EBACE1BACE2USP2
SCHEMBL422494 0.80 MAPT (0.46) SYKCDK2GSK3BCDK4FGFR1
SCHEMBL418696 0.79 RXRA (0.34) MAPTTP53MEN1KMT2ALMNA
SCHEMBL421168 0.74 RXRA (0.34) —
SCHEMBL421260 0.73 KDM4E (0.38) SYKCDK2KDRFGFR1MAPT
SCHEMBL419338 0.72 HRH3 (0.39) KDM4EMAPK1NPC1TP53RAB9A
SCHEMBL422621 0.71 PIK3CA (0.38) MAPTALDH1A1MAPK1ALOX15NPC1
SCHEMBL420411 0.71 RAB9A (0.40) MAPTALDH1A1MAPK1NPC1TP53
SCHEMBL420460 0.71 KDM4E (0.38) MAPTKDM4ERAD52ALDH1A1HSD17B10

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 BRD4 529/4885SYK 2653/4885CDK2 2627/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 BRD4 529/4885SYK 2653/4885CDK2 2627/4885

“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.