SCHEMBL4095744

SCHEMBL4095744

FC(F)(F)C(c1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 2/20 0.54
KCNA5 P22460 1/20 0.54
SLC6A4 P31645 12/20 0.51
SLC6A2 P23975 10/20 0.51
CYP2D6 P10635 1/20 0.48
OPRD1 P41143 4/20 0.48
TACR1 P25103 1/20 0.45
SLC6A3 Q01959 3/20 0.44

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
SCHEMBL14035482 1.00 MEN1 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL14035305 1.00 MEN1 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
Hydrochloric Acid SCHEMBL23211984 0.98 MEN1 (0.58) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL30330107 0.84 SLC6A2 (0.48) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL16121132 0.83 CYP2D6 (0.41) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL31010334 0.81 KCNA5 (0.57) MEN1KMT2AKCNH2KCNA5CYP2D6
Hydrochloric Acid SCHEMBL7405456 0.80 KCNA5 (0.55) MEN1KMT2AKCNH2KCNA5CYP2D6
SCHEMBL6926672 0.79 CYP2D6 (0.59) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL4094666 0.78 HRH3 (0.42) MEN1KMT2AKCNH2KCNA5SLC6A4
SCHEMBL4099833 0.78 HRH3 (0.42) MEN1KMT2AKCNH2KCNA5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-3503888-A1 INHIBITORS OF-BCR-ABL MUTANTS AND USE THEREOF The Regents of The University of Michigan (US) 2019-07-03 EP disclosed
US-10196378-B2 Inhibitors of BCR-ABL mutants and use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-05 US disclosed
WO-2018039467-A1 INHIBITORS OF-BCR-ABL MUTANTS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-01 WO disclosed
US-20180057479-A1 Inhibitors of BCR-ABL Mutants and Use Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-01 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
CN-102282136-B Process for the preparation of rosuvastatin KRKA TOVARNA ZDRAVIL D D NOVO 2014-12-17 CN disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 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 (5 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT MEN1 4695/4885KMT2A 3485/4885KCNH2 2039/4885
US-20180057479-A1 Inhibitors of BCR-ABL Mutants and Use Thereof ABL1, BCR, ABL2 MEN1 4375/4885KMT2A 848/4885KCNH2 4336/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 MEN1 782/4885KMT2A 2892/4885KCNH2 127/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C MEN1 4777/4885KMT2A 988/4885KCNH2 1004/4885
US-10196378-B2 Inhibitors of BCR-ABL mutants and use thereof ABL1, BCR, ABL2 MEN1 4375/4885KMT2A 848/4885KCNH2 4336/4885

“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.