SCHEMBL7792159

SCHEMBL7792159

COC(=O)Nc1nc2c(C)c(F)c(F)c(F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 8/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ HIF1A Q16665 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TUBB4A P04350 5/20 0.34
▸ TUBB P07437 5/20 0.34
▸ TUBA3C P0DPH7 5/20 0.34
▸ TUBA1B P68363 5/20 0.34

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
SCHEMBL7789099 0.94 KDR (0.39) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7517663 0.89 MAPK1 (0.41) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7792153 0.88 MAPK1 (0.39) KDRMAPK1ADORA3PTGS1RXFP1
Hydrochloric Acid SCHEMBL7792147 0.88 MAPK1 (0.40) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7789092 0.85 MAPK1 (0.39) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7793945 0.81 KDR (0.38) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7793948 0.75 KDR (0.38) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7793917 0.72 CSNK2A1 (0.59) —
SCHEMBL7792996 0.71 CSNK2A2 (0.41) KDRMAPK1ADORA3PTGS1RXFP1
SCHEMBL7792227 0.71 LMNA (0.36) KDRMAPK1ADORA3PTGS1RXFP1

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-20010047021-A1 Cancer treatment THE PROCTER & GAMBLE COMPANY 2001-11-29 — — US disclosed
WO-2001083457-A2 BENZIMIDAZOLE-2-CARBAMATES AND THEIR USE IN CANCER TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2001-11-08 — — 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-20010047021-A1 Cancer treatment MUSK, ALK, BCOR KDR 3354/4885MAPK1 4166/4885ADORA3 1268/4885

“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.

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