SCHEMBL311523

SCHEMBL311523

FC(F)(F)c1cccc(-c2c[nH]c(C3CCNCC3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR2C P28335 4/20 0.58
MAPK13 O15264 4/20 0.54
MAPK9 P45984 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
MAPK14 Q16539 4/20 0.54
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
RPS6KA3 P51812 1/20 0.52
KDM1A O60341 3/20 0.47
PLAT P00750 2/20 0.46
RAF1 P04049 2/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.44
IDO1 P14902 1/20 0.44
CASP6 P55212 1/20 0.43

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
SCHEMBL15732539 0.85 HTR2C (0.56) MEN1POLBKMT2AHTR2CKDM1A
SCHEMBL5203241 0.83 KDM1A (0.46) MEN1POLBKMT2AHTR2CMAPK13
Hydrochloric Acid SCHEMBL15732591 0.82 HTR2C (0.46) MEN1POLBKMT2AHTR2CMAPK13
SCHEMBL14608992 0.82 KCNH2 (0.47) MEN1POLBKMT2AKDM1AMAOB
SCHEMBL5206565 0.82 KCNH2 (0.47) MEN1POLBKMT2AKDM1AMAOB
SCHEMBL5205158 0.82 KCNH2 (0.47) MEN1POLBKMT2AKDM1AMAOB
SCHEMBL311762 0.81 PLAT (0.48) MEN1POLBKMT2AHTR2CPLAT
SCHEMBL5207210 0.81 KDM1A (0.55) MEN1POLBKMT2AMAPK13MAPK9
SCHEMBL312409 0.81 SLC18A3 (0.50) MEN1KMT2AHTR2C
SCHEMBL312676 0.80 KMO (0.44) MEN1POLBKMT2AKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
CN-104080782-A Novel imidazole amines as modulators of kinase activity MERCK PATENT GMBH 2014-10-01 CN disclosed
EP-2755965-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-07-23 EP disclosed
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO 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 (4 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 MEN1 1683/4885POLB 892/4885KMT2A 384/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 MEN1 3248/4885POLB 3457/4885KMT2A 3302/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 MEN1 1683/4885POLB 892/4885KMT2A 384/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 MEN1 3248/4885POLB 3457/4885KMT2A 3302/4885

“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.