SCHEMBL845155

SCHEMBL845155

[c]1cccc(CN2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
PRMT6 Q96LA8 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NCF1 P14598 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MBTD1 Q05BQ5 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
TP53BP1 Q12888 1/20 0.42

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
SCHEMBL27729397 0.98 HRH3 (0.50) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL161004 0.98 HRH3 (0.55) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL27729240 0.96 HRH3 (0.53) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL23113743 0.96 HRH3 (0.47) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL27724955 0.93 SMN1; SMN2 (0.46) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL27801847 0.92 SMN1; SMN2 (0.49) HRH3PRMT6CHRNB2CHRNA4ALDH1A1
SCHEMBL61472 0.84 MC4R (0.62) PRMT6ALDH1A1HRH4SIGMAR1NCF1
SCHEMBL62595 0.84 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2SIGMAR1NCF1
SCHEMBL2476102 0.84 SIGMAR1 (0.62) HRH3ALDH1A1TDP1CYP2C19SIGMAR1
SCHEMBL2964350 0.84 MEN1 (0.53) ALDH1A1SIGMAR1KDM4EL3MBTL1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103113386-B Nitrogen heterocyclic substituted-dihydro artemisinin derivative and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-12-23 CN claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US claimed
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US disclosed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN disclosed
CN-108026067-B 6-amino-quinoline-3-carbonitriles as COT modulators 吉利德科学公司 2021-01-12 CN disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US disclosed
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US disclosed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP 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 (7 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-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 HRH3 1973/4885PRMT6 518/4885CHRNB2 4779/4885
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 HRH3 936/4885PRMT6 464/4885CHRNB2 3053/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 HRH3 1973/4885PRMT6 518/4885CHRNB2 4779/4885
US-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HRH3 313/4885PRMT6 621/4885CHRNB2 3361/4885
US-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HRH3 242/4885PRMT6 1063/4885CHRNB2 3514/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 HRH3 1973/4885PRMT6 518/4885CHRNB2 4779/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HRH3 313/4885PRMT6 621/4885CHRNB2 3361/4885

“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.