SCHEMBL2809231

SCHEMBL2809231

Cc1ccc(Nc2ccc(N(C)C(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.35
BRAF P15056 2/20 0.34
BDKRB1 P46663 3/20 0.34
EGFR P00533 1/20 0.34
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
LCK P06239 2/20 0.33
KIT P10721 2/20 0.33
SRC P12931 2/20 0.33
MAPK14 Q16539 2/20 0.33
ABL1 P00519 2/20 0.31
BCR P11274 1/20 0.31
THRB P10828 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL2805105 0.92 BDKRB1 (0.34) BRAFBDKRB1EGFRMAPK9MAPK10
SCHEMBL2806524 0.92 BRAF (0.38) DHODHBRAFBDKRB1EGFRMAPK9
SCHEMBL2809360 0.91 BDKRB1 (0.33) BRAFBDKRB1EGFRMAPK9MAPK10
SCHEMBL2808764 0.91 CNR2 (0.38) BRAFBDKRB1MAPK9MAPK10
SCHEMBL185331 0.90 DHODH (0.35) DHODHGPBAR1
SCHEMBL2804955 0.90 PIK3CA (0.36) DHODHBDKRB1EGFRMAPK10ABL1
SCHEMBL2804889 0.89 MAPK9 (0.36) DHODHBRAFBDKRB1MAPK9MAPK10
SCHEMBL2805743 0.87 BDKRB1 (0.34) BRAFBDKRB1EGFRMAPK9MAPK10
SCHEMBL2808302 0.85 BACE1 (0.33) BDKRB1MAPK9MAPK10
SCHEMBL2811232 0.83 BRAF (0.36) BRAFBDKRB1EGFRLCKKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885BRAF 3144/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885BRAF 3144/4885BDKRB1 289/4885

“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.