SCHEMBL13517751

SCHEMBL13517751

Cc1cc(-c2ccncc2)cc(C)c1Oc1nc(Cl)nc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ METAP2 P50579 3/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ BRAF P15056 1/20 0.30
▸ MAPK3 P27361 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL4100661 0.81 PLK4 (0.39) CLK1TLR8METAP2BRAF
SCHEMBL11947218 0.76 CYP2C19 (0.51) LRRK2BRAF
SCHEMBL25267720 0.71 CLK1 (0.38) CLK1TLR8METAP2PDGFRBPDGFRA
SCHEMBL22119097 0.69 HTT (0.36) —
SCHEMBL13561245 0.65 HTR2C (0.39) CLK1TLR8BRAF
SCHEMBL24553744 0.64 HTT (0.44) —
SCHEMBL3862591 0.61 TUBB4A (0.42) —
SCHEMBL29684443 0.60 NOS1 (0.39) —
SCHEMBL25805641 0.60 NOS1 (0.39) —
SCHEMBL6850243 0.60 SLC2A1 (0.44) —

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-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — 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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CLK1 4209/4885TLR8 4096/4885LRRK2 4272/4885

“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.

Send feedback