SCHEMBL20150426

SCHEMBL20150426

Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)ccc2C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
MAT2A P31153 4/20 0.38
AR P10275 7/20 0.37
TDP2 O95551 1/20 0.35
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 2/20 0.33

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
SCHEMBL20156224 0.95 MAT2A (0.36) KIF11MAT2AARTDP2BCAT2
SCHEMBL20150425 0.92 KIF11 (0.42) KIF11MAT2AARTDP2CNR2
SCHEMBL20115005 0.91 ALDH1A1 (0.33) KIF11ARALDH1A1LMNAHPGD
SCHEMBL20115020 0.90 ALDH1A1 (0.34) KIF11ARBCAT2BCAT1ALDH1A1
SCHEMBL20114655 0.90 ALDH1A1 (0.38) MAT2AARALDH1A1LMNAHPGD
SCHEMBL20114659 0.90 ALDH1A1 (0.38) MAT2AARALDH1A1LMNAHPGD
SCHEMBL21108807 0.88 KIF11 (0.43) KIF11MAT2ATDP2CNR2SMN1; SMN2
SCHEMBL21132049 0.87 KIF11 (0.48) KIF11MAT2AARSCN9A
SCHEMBL20114644 0.86 ALDH1A1 (0.36) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20156225 0.86 MAT2A (0.36) KIF11MAT2AARSMN1; SMN2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 KIF11 2577/4885MAT2A 2283/4885AR 3892/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 KIF11 2577/4885MAT2A 2283/4885AR 3892/4885

“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.