SCHEMBL12763840

SCHEMBL12763840

FC(F)(F)c1ccc(-c2ccncc2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ XPO1 O14980 5/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL1400711 0.77 RAB9A (0.42) RAB9ANPC1XPO1CYP11B2CYP11B1
SCHEMBL8432286 0.75 RPS6KA5 (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12763754 0.75 KIF11 (0.39) KIF11RAB9ANPC1CYP1A2CYP3A4
SCHEMBL5809565 0.73 KDM4E (0.50) MAPTKDM4ELMNA
SCHEMBL30151306 0.72 KIF11 (0.40) KIF11RAB9ANPC1MAPTKDM4E
SCHEMBL29388275 0.70 XPO1 (0.46) XPO1CYP11B2CYP11B1ADRB2
SCHEMBL855349 0.70 XPO1 (0.46) XPO1CYP11B2CYP11B1ADRB2
SCHEMBL27503715 0.69 NPC1 (0.41) KIF11RAB9ANPC1CYP11B2CYP11B1
SCHEMBL23582449 0.69 XPO1 (0.39) RAB9ANPC1XPO1MAPTKMO
SCHEMBL31357710 0.69 XPO1 (0.39) RAB9ANPC1XPO1MAPTKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E KIF11 3289/4885RAB9A 1527/4885NPC1 1299/4885

“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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