SCHEMBL13299192

SCHEMBL13299192

Cc1cc(C)n(CC(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GLA P06280 1/20 0.53
GLS O94925 1/20 0.52
LMNA P02545 6/20 0.48
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23194585 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL13616897 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL12462755 0.80 KCNJ6 (0.44) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL18611220 0.80 GLS (0.36) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL24239290 0.80 KCNJ6 (0.41) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL17321053 0.80 PDE2A (0.35) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL18578274 0.80 CSNK1E (0.35) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL12859230 0.79 KCNJ6 (0.40) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL14621515 0.79 KCNJ6 (0.40) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL12859076 0.79 MAPK14 (0.41) ALDH1A1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-20220081417-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. 2022-03-17 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
WO-2013010904-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. (US) 2013-01-24 WO disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 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 (8 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885KDM4E 1416/4885GLA 1573/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 ALDH1A1 1868/4885KDM4E 1691/4885GLA 44/4885
US-20220081417-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS SARM1, SARNP, ADRM1 ALDH1A1 3952/4885KDM4E 1581/4885GLA 2989/4885
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP ALDH1A1 1525/4885KDM4E 2161/4885GLA 130/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS ALDH1A1 2065/4885KDM4E 4085/4885GLA 3646/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2883/4885KDM4E 1692/4885GLA 98/4885
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885KDM4E 102/4885GLA 4302/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885KDM4E 102/4885GLA 4302/4885

“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.