SCHEMBL10104529

SCHEMBL10104529

CCN1CCN(c2cc(C(F)(F)F)cc(C)c2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GAA P10253 3/20 0.47
RAD52 P43351 2/20 0.47
GFER P55789 1/20 0.47
CHRM4 P08173 3/20 0.46
CHRM1 P11229 3/20 0.46
ALDH1A1 P00352 2/20 0.44
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.41
KDM2B Q8NHM5 2/20 0.39
LMNA P02545 2/20 0.39
CHRNA7 P36544 1/20 0.38
MET P08581 1/20 0.37
TP53 P04637 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL10104368 0.82 ADRB2 (0.43) MAPTGAAALDH1A1METTP53
SCHEMBL10104536 0.82 MAPT (0.40) MAPTGAAALDH1A1LMNA
SCHEMBL10104521 0.80 MAPT (0.40) MAPTGAAALDH1A1LMNA
SCHEMBL10104532 0.78 ALDH1A1 (0.53) MAPTGAAALDH1A1LMNA
SCHEMBL10104377 0.77 MAPT (0.42) MAPTGAARAD52GFERCHRM4
SCHEMBL2928287 0.77 ADRB1 (0.56) MAPTGAARAD52GFERCHRM4
SCHEMBL10104316 0.75 FFAR4 (0.48) MAPTGAARAD52GFERCHRM4
SCHEMBL10104534 0.73 ALDH1A1 (0.48) MAPTGAAALDH1A1LMNA
SCHEMBL2927784 0.72 MET (0.47) MAPTGAARAD52GFERCHRM4
SCHEMBL2311467 0.71 GAA (0.53) MAPTGAARAD52GFERCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3852/4885GAA 716/4885RAD52 4247/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MAPT 3272/4885GAA 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.