SCHEMBL12303351

SCHEMBL12303351

COc1ccnc(Oc2ccc(N)c(C(N)=O)c2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.48
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDR P35968 5/20 0.41
▸ AURKA O14965 4/20 0.41
▸ MET P08581 4/20 0.41
▸ TEK Q02763 4/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 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
SCHEMBL12303610 0.77 SCN9A (0.48) DRD1HDAC3BRAFHDAC4HDAC1
SCHEMBL12303339 0.73 HDAC3 (0.46) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL1892459 0.72 KDR (0.64) KDRAURKAMETTEKAURKB
SCHEMBL258365 0.70 NOS2 (0.57) CYP3A4KDM4ERAB9A
SCHEMBL30821626 0.70 NOS2 (0.57) CYP3A4KDM4ERAB9A
SCHEMBL25328315 0.70 NR4A1 (0.52) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL31151866 0.70 NR4A1 (0.52) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL11922573 0.70 CFTR (0.51) DRD1
SCHEMBL12303340 0.69 HDAC3 (0.41) HDAC3BRAFHDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11466167 0.69 NOS2 (0.56) CYP3A4KDM4ERAB9A

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-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E DRD1 2971/4885CYP2C19 712/4885CYP3A4 745/4885

“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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