SCHEMBL10104476

SCHEMBL10104476

COc1c(C)cc(C(F)(F)F)cc1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CACNA1B Q00975 1/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL10104443 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5119240 0.86 KDM4E (0.43) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104438 0.85 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104485 0.82 MAOA (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL5119234 0.80 SCN9A (0.43) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104525 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104440 0.74 CYP2A13 (0.47) KDM4EPOLB
SCHEMBL5114806 0.74 ALOX5AP (0.44) ALDH1A1TSHRKDM4ETDP1ALOX15
SCHEMBL15743685 0.73 RAPGEF4 (0.39) ALDH1A1GAAL3MBTL1
SCHEMBL5118355 0.72 CACNA1B (0.43) MEN1KMT2AALDH1A1TSHRKDM4E

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 MEN1 254/4885KMT2A 3151/4885ALDH1A1 175/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MEN1 1575/4885KMT2A 3531/4885ALDH1A1 860/4885

“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.