SCHEMBL10104495

SCHEMBL10104495

Cc1cc(Br)c(C)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
HSD11B1 P28845 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
AR P10275 1/20 0.31
SYK P43405 1/20 0.30
PTPN1 P18031 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL91657 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1CA2
SCHEMBL6119760 0.80 ADRB2 (0.44) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL22866837 0.80 NOTUM (0.36) HTTSMN1; SMN2LMNANOTUMMEN1
SCHEMBL829381 0.80 NOTUM (0.37) HTTSMN1; SMN2LMNANOTUMMEN1
SCHEMBL29560549 0.80 NOTUM (0.36) HTTSMN1; SMN2LMNANOTUMMEN1
SCHEMBL17268864 0.79 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1CA2POLB
SCHEMBL15871381 0.78 GAA (0.42) HTTNOTUMMEN1KMT2ANPC1
SCHEMBL22400411 0.78 NOTUM (0.35) HTTNOTUMMEN1KMT2ANPC1
SCHEMBL30688789 0.78 NOTUM (0.35) HTTNOTUMMEN1KMT2ANPC1
SCHEMBL30688815 0.78 GAA (0.42) HTTNOTUMMEN1KMT2ANPC1

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 HTT 3459/4885SMN1; SMN2 1280/4885LMNA 993/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 HTT 4227/4885SMN1; SMN2 521/4885LMNA 180/4885

“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.