SCHEMBL12465178

SCHEMBL12465178

C=C(C#N)c1cccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 9/20 0.47
ABL1 P00519 7/20 0.43
BCR P11274 7/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
BRAF P15056 2/20 0.39
TEK Q02763 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
SCHEMBL12465133 0.88 BRAF (0.51) GPR142BRAF
SCHEMBL12465177 0.86 GPR142 (0.44) GPR142ABL1BCRKMT2A
SCHEMBL12465361 0.86 BRAF (0.49) ABL1BCRBRAF
SCHEMBL12465148 0.85 BRAF (0.43) GPR142ABL1BCRBRAFTEK
SCHEMBL12465358 0.84 BRAF (0.51) ABL1BCRBRAF
SCHEMBL12399168 0.83 GPR142 (0.57) GPR142ABL1BCRBRAF
SCHEMBL12464991 0.82 GPR142 (0.47) GPR142ABL1BCRKDM4EMEN1
SCHEMBL12465317 0.81 BRAF (0.49) ABL1BCRBRAF
SCHEMBL12399189 0.80 GPR142 (0.50) GPR142ABL1BCRBRAF
SCHEMBL12465146 0.80 GPR142 (0.42) GPR142ABL1BCRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (1 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 GPR142 3760/4885ABL1 136/4885BCR 922/4885

“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.