SCHEMBL4303340

SCHEMBL4303340

COc1ccc(N(C)c2cc(C)nc(C#N)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDR P35968 5/20 0.43
EGFR P00533 3/20 0.43
PDGFRB P09619 3/20 0.43
PDGFRA P16234 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB3 Q13509 5/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB2A Q13885 2/20 0.40

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
SCHEMBL4300169 0.81 KDR (0.51) KDREGFRPDGFRBPDGFRATUBB3
SCHEMBL4297825 0.79 CTSK (0.40) MAPK1KDREGFRPDGFRBPDGFRA
SCHEMBL4300255 0.78 MEN1 (0.53) KDREGFRPDGFRBPDGFRAALDH1A1
SCHEMBL4295522 0.78 MAPT (0.43) KDREGFRPDGFRBPDGFRAKDM4E
SCHEMBL17220082 0.72 LMNA (0.50) TSHRKDREGFRPDGFRBPDGFRA
SCHEMBL1685065 0.69 EGFR (0.68) KDREGFRPDGFRBTUBB3TUBB4A
SCHEMBL13241213 0.69 MAOA (0.50) KDREGFRPDGFRBPDGFRAALDH1A1
SCHEMBL7361236 0.69 SCN9A (0.41) POLBTSHRALDH1A1KDM4EDHFR
SCHEMBL114319 0.67 CA1 (0.61) MAPK1KDREGFRPDGFRBALDH1A1
SCHEMBL2143294 0.67 KDM4E (0.45) POLBTSHRMAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US claimed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 WO claimed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 WO claimed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US disclosed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US disclosed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 US disclosed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 WO disclosed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 WO disclosed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 WO disclosed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 WO 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-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 POLB 1329/4885TSHR 3669/4885MAPK1 186/4885

“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.