SCHEMBL16517899

SCHEMBL16517899

Cc1cc2c(ncc3cnn(C)c32)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ BRD4 O60885 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 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
SCHEMBL17226416 0.83 — —
SCHEMBL2317117 0.76 IKBKB (0.36) KDRJAK2KITIKBKBCHUK
SCHEMBL12557112 0.76 AURKA (0.41) IKBKBCHUK
SCHEMBL2315670 0.76 CCNT1 (0.37) KDRJAK2IKBKBCHUK
SCHEMBL12389804 0.73 CCNB2 (0.48) HRH4KITIKBKBCHUK
SCHEMBL2318685 0.73 KIT (0.44) ADORA2AADORA1KITIKBKBCHUK
SCHEMBL2319679 0.72 FGFR3 (0.38) KDRIKBKBCHUK
SCHEMBL2318637 0.72 TBK1 (0.40) IKBKBCHUK
SCHEMBL2318344 0.72 IKBKB (0.54) KITIKBKBCHUK
SCHEMBL2322271 0.71 AURKB (0.35) KDRJAK2JAK3IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 — — US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 — — US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 — — US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 — — 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 (2 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-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CCNK 1404/4885CDK12 362/4885BRD4 1290/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CCNK 1404/4885CDK12 362/4885BRD4 1290/4885

“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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