SCHEMBL10104410

SCHEMBL10104410

Cc1cc(NCCN2CCCC2)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PTGES O14684 1/20 0.37
DRD3 P35462 1/20 0.36
CCR2 P41597 3/20 0.36
RAF1 P04049 1/20 0.36
ARAF P10398 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL10104380 0.86 ACP1 (0.41) ACHEMEN1KMT2AACP1HRH3
SCHEMBL10104409 0.85 MEN1 (0.38) ACHEMEN1KMT2AACP1HRH3
SCHEMBL10104355 0.75 ALDH1A1 (0.38) MEN1KMT2APTGES
SCHEMBL10104431 0.73 KDM4E (0.43) SIGMAR1MEN1KMT2A
SCHEMBL10104284 0.72 RAPGEF4 (0.43) MEN1KMT2AHRH3CCR2
SCHEMBL10104460 0.72 KDM4E (0.43) SIGMAR1MEN1KMT2A
SCHEMBL10104470 0.71 KDM4E (0.46) SIGMAR1MEN1KMT2A
SCHEMBL426714 0.70 HTT (0.52) ACHEMEN1KMT2AACP1HRH3
SCHEMBL12465126 0.68 CSNK2A1 (0.47) MEN1KMT2AACP1DRD3RAF1
SCHEMBL15517270 0.67 RAPGEF4 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US 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
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (3 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 ACHE 2812/4885SIGMAR1 693/4885KCNH2 3763/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ACHE 2529/4885SIGMAR1 575/4885KCNH2 2711/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ACHE 3040/4885SIGMAR1 1988/4885KCNH2 3886/4885

“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.