SCHEMBL1817016

SCHEMBL1817016

c1ccc(On2cccn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL8932282 0.76 GOT1 (0.34)
SCHEMBL207641 0.74 NPC1 (0.39) NPC1ALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL29018233 0.69 LMNA (0.46) KDM4ELMNACYP1A2POLBNPC1
SCHEMBL17645214 0.69 SMPD3 (0.36) LMNABLMHIF1AHTTHSP90AA1
SCHEMBL9595941 0.68 MAPK1 (0.38) KDM4ECYP1A2ALDH1A1CYP2D6CYP2C19
SCHEMBL861361 0.68
SCHEMBL25295924 0.67 KMT2A (0.49) KDM4ELMNAPOLBP4HTMNPC1
SCHEMBL4723132 0.67
SCHEMBL409030 0.67 KDM4E (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17714243 0.66 KDM4E (0.42) KDM4ECYP1A2ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
EP-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 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 (3 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP KDM4E 1933/4885LMNA 851/4885CCR1 3725/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC KDM4E 1107/4885LMNA 344/4885CCR1 3881/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT KDM4E 2516/4885LMNA 4322/4885CCR1 4041/4885

“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.