SCHEMBL12869460

SCHEMBL12869460

CC(C)c1cc2cc(-c3cncnc3)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ICMT O60725 1/20 0.34
▸ PHGDH O43175 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ ATP1A1 P05023 1/20 0.33
▸ ATP1B1 P05026 1/20 0.33
▸ ATP1A3 P13637 1/20 0.33
▸ ATP1B2 P14415 1/20 0.33
▸ ATP1A2 P50993 1/20 0.33
▸ ATP1B3 P54709 1/20 0.33
▸ FXYD2 P54710 1/20 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
SCHEMBL12869480 0.75 AAK1 (0.40) HDAC8BACE1DRD2HTR1BHTR6
SCHEMBL23478504 0.72 ATM (0.41) ATM
SCHEMBL21730433 0.72 LMNA (0.35) HDAC8PHGDH
SCHEMBL26745662 0.72 RXFP1 (0.50) —
SCHEMBL20604841 0.71 HSD11B1 (0.51) CYP11B1CYP11B2
SCHEMBL21730446 0.70 KDM4E (0.33) —
SCHEMBL11965203 0.70 KDM4E (0.56) ATM
SCHEMBL26260210 0.70 CYP11B2 (0.50) ATMERN1ABL1CYP11B1CYP11B2
SCHEMBL29856743 0.69 MAPT (0.44) ATM
SCHEMBL14327804 0.69 MAPT (0.44) ATM

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-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A HDAC8 3106/4885BACE1 179/4885DRD2 2597/4885

“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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