SCHEMBL12869480

SCHEMBL12869480

CC(C)c1nc2cc(-c3cncnc3)ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.40
▸ ABL1 P00519 2/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL25681516 0.79 NTRK1 (0.45) DRD2NTRK1CSF1RNTRK2ALOX5AP
SCHEMBL12869460 0.75 HDAC8 (0.37) ABL1HDAC8DRD2HTR1BHTR6
SCHEMBL12269122 0.74 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL12317672 0.74 KDM4E (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL4790064 0.73 MEN1 (0.42) HDAC6HDAC1
SCHEMBL3613367 0.73 ALDH1A1 (0.45) HDAC6
SCHEMBL12869467 0.73 ESR1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL11946716 0.71 ATM (0.53) AAK1
SCHEMBL16367615 0.71 KCNH2 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL20132595 0.71 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8

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 AAK1 1274/4885ABL1 198/4885HDAC6 666/4885

“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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