SCHEMBL10104409

SCHEMBL10104409

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACP1 P24666 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DRD3 P35462 1/20 0.37
ACHE P22303 2/20 0.35
SMARCA2 P51531 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
TP53 P04637 1/20 0.34

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 0.88 ACP1 (0.41) MEN1KMT2AACP1HRH3DRD3
SCHEMBL10104410 0.85 ACHE (0.40) MEN1KMT2AACP1HRH3DRD3
SCHEMBL10104393 0.74 NCF1 (0.37) MEN1KMT2ANPSR1
SCHEMBL10104284 0.73 RAPGEF4 (0.43) MEN1KMT2AHRH3CARM1PRMT6
SCHEMBL10104479 0.73 KDM4E (0.43) MEN1KMT2APOLBNPSR1
SCHEMBL10104336 0.72 HRH3 (0.38) HRH3TSHRTP53
SCHEMBL426714 0.71 HTT (0.52) MEN1KMT2AACP1HRH3DRD3
SCHEMBL10104396 0.69 SSTR4 (0.41) POLB
SCHEMBL11947327 0.69 SIGMAR1 (0.41) MEN1KMT2AACP1HRH3DRD3
SCHEMBL12465126 0.68 CSNK2A1 (0.47) MEN1KMT2AACP1DRD3POLB

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 MEN1 103/4885KMT2A 3579/4885ACP1 1254/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MEN1 254/4885KMT2A 3151/4885ACP1 1548/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MEN1 1575/4885KMT2A 3531/4885ACP1 1292/4885

“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.