SCHEMBL15054874

SCHEMBL15054874

O=C(Cc1ccc(F)cc1)NC1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
POLB P06746 3/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.47
KDM1A O60341 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NMT2 O60551 1/20 0.46
NMT1 P30419 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL34468348 1.00 SIGMAR1 (0.52) SIGMAR1POLBLMNAGAAKDM1A
SCHEMBL3638096 0.91 SIGMAR1 (0.58) SIGMAR1POLBLMNAGAANPC1
SCHEMBL34468338 0.85 EPHX2 (0.62) SIGMAR1KDM1AMEN1ALDH1A1KMT2A
SCHEMBL15055182 0.85 EPHX2 (0.62) SIGMAR1KDM1AMEN1ALDH1A1KMT2A
SCHEMBL30718482 0.85 EPHX2 (0.62) SIGMAR1KDM1AMEN1ALDH1A1KMT2A
SCHEMBL21624674 0.85 SIGMAR1 (0.55) SIGMAR1LMNAKDM1ANPC1RAB9A
SCHEMBL21624677 0.85 SIGMAR1 (0.55) SIGMAR1LMNAKDM1ANPC1RAB9A
SCHEMBL21626179 0.84 KDM1A (0.49) POLBLMNAKDM1ANPC1RAB9A
SCHEMBL21626178 0.84 KDM1A (0.49) POLBLMNAKDM1ANPC1RAB9A
SCHEMBL34468288 0.83 ALDH1A1 (0.68) SIGMAR1LMNAKDM1ASMN1; SMN2MEN1

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-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 CN disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
CN-104169258-A Novel heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH 2014-11-26 CN disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 SIGMAR1 3751/4885POLB 1595/4885LMNA 3802/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 SIGMAR1 3659/4885POLB 1441/4885LMNA 3615/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 SIGMAR1 3524/4885POLB 1048/4885LMNA 3290/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 SIGMAR1 3659/4885POLB 1441/4885LMNA 3615/4885

“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.