SCHEMBL10104427

SCHEMBL10104427

Cc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.58
KDM4E B2RXH2 6/20 0.53
PSMB1 P20618 3/20 0.50
PSMB5 P28074 3/20 0.50
PSMB2 P49721 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL10104432 0.88 POLB (0.53) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL30063493 0.83 LTA4H (0.58) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL545871 0.83 LTA4H (0.58) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL17571469 0.81 KDM4E (0.56) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL12130330 0.80 LTA4H (0.58) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL27081892 0.78 LTA4H (0.59) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL12130332 0.78 LTA4H (0.52) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL30063063 0.78 LTA4H (0.56) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL12130328 0.78 LTA4H (0.52) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL545206 0.78 LTA4H (0.56) LTA4HKDM4EPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3231798-B1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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 (2 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 LTA4H 1947/4885KDM4E 2715/4885PSMB1 2031/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 LTA4H 1519/4885KDM4E 1224/4885PSMB1 2319/4885

“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.