SCHEMBL10104378

SCHEMBL10104378

CNCCN(C)c1cc(C)cc(C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.40
NOS2 P35228 6/20 0.40
NOS3 P29474 1/20 0.33
PRMT1 Q99873 3/20 0.31
PRMT3 O60678 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 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
SCHEMBL10104376 0.83 TP53 (0.32)
SCHEMBL10104338 0.69
SCHEMBL10104319 0.68 RAPGEF4 (0.33)
SCHEMBL10104381 0.68 NCF1 (0.38) NOS1NOS2
SCHEMBL91657 0.68 SMN1; SMN2 (0.40)
SCHEMBL14922255 0.66 THRA (0.38) PRMT1
SCHEMBL10104357 0.66 RAPGEF4 (0.32) NOS1NOS2NOS3
SCHEMBL10104423 0.65 CRHR1 (0.37)
SCHEMBL24801804 0.64 MEN1 (0.37)
SCHEMBL10104503 0.64 CYP3A4 (0.39) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
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
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 (3 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 NOS1 127/4885NOS2 392/4885NOS3 403/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 NOS1 676/4885NOS2 1534/4885NOS3 545/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 NOS1 2364/4885NOS2 3523/4885NOS3 3139/4885

“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.