SCHEMBL10104525

SCHEMBL10104525

COc1c(CN2CCCC2)cc(C)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 2/20 0.39
NR1H2 P55055 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL10104483 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104533 0.82 KDM4E (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104480 0.81 KDM4E (0.43) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104479 0.81 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10104431 0.79 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10104476 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL10104460 0.78 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL10104470 0.77 KDM4E (0.46) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL14426354 0.76 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL12426532 0.76 NR1H2 (0.55) MEN1KMT2AALDH1A1KDM4EPOLB

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.