SCHEMBL10104387

SCHEMBL10104387

CCN1CCN(c2cc(C)cc(C(C)(C)C#N)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
GAA P10253 3/20 0.40
RAD52 P43351 3/20 0.40
MAPT P10636 3/20 0.39
GFER P55789 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 1/20 0.37
HTR1A P08908 1/20 0.36
KCNH2 Q12809 1/20 0.35
DRD2 P14416 2/20 0.35
KCNA3 P22001 1/20 0.35
TP53 P04637 1/20 0.34
DRD3 P35462 1/20 0.33
KHK P50053 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL10104382 0.84 KDM4E (0.37) GAAMAPTGFERKDM4ESMN1; SMN2
SCHEMBL10104316 0.80 FFAR4 (0.48) CHRNA7GAARAD52MAPTGFER
SCHEMBL10104388 0.80 NCF1 (0.42) KDM4ESMN1; SMN2BRAFTP53ALDH1A1
SCHEMBL1172829 0.71 CYP19A1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL10701617 0.71 CYP19A1 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL2928287 0.69 ADRB1 (0.56) CHRNA7GAARAD52MAPTGFER
SCHEMBL10104322 0.69 ALDH1A1 (0.52) MAPTSMN1; SMN2HTR1AKCNH2DRD2
SCHEMBL15315548 0.69 DRD2 (0.44) GAAHTR1AKCNH2DRD2DRD3
SCHEMBL10104356 0.68 TSHR (0.54) CHRNA7GAARAD52MAPTGFER
SCHEMBL10104383 0.67 FFAR4 (0.45) FFAR4

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 CHRNA7 4408/4885GAA 791/4885RAD52 4712/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CHRNA7 3571/4885GAA 716/4885RAD52 4247/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 CHRNA7 3676/4885GAA 1323/4885RAD52 2207/4885

“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.