SCHEMBL17909899

SCHEMBL17909899

Cc1c(C(N)=O)ccnc1-c1ccc2c(N)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 6/20 0.46
▸ PLG P00747 2/20 0.46
▸ KLKB1 P03952 2/20 0.46
▸ F11 P03951 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ MAP4K4 O95819 2/20 0.45
▸ TARS1 P26639 1/20 0.43
▸ ROCK1 Q13464 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ C1S P09871 1/20 0.40
▸ F10 P00742 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F9 P00740 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ NOS3 P29474 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
SCHEMBL17909818 0.88 CYP2A6 (0.37) TARS1PIK3CBPARP1KDM4E
SCHEMBL17909902 0.83 F12 (0.47) F12PLGKLKB1F11PRSS1
SCHEMBL17909862 0.77 SYK (0.48) PIK3CBPARP1KDM4E
SCHEMBL16881549 0.76 PI4K2A (0.49) PIK3CB
SCHEMBL17909837 0.76 HSP90AA1 (0.48) MAP4K4ROCK1PIK3CBPARP1KDM4E
SCHEMBL17909893 0.75 SYK (0.41) PIK3CBPARP1
SCHEMBL17909879 0.75 SRC (0.40) PIK3CBPARP1BACE1KDM4E
SCHEMBL17909850 0.75 AR (0.46) PIK3CB
SCHEMBL17909871 0.75 RIPK2 (0.51) ROCK1
SCHEMBL17909819 0.75 CYP11B1 (0.36) PIK3CBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 — — US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 — — US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 — — US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 — — US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 — — US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 — — 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 (6 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-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 F12 77/4885PLG 36/4885KLKB1 1/4885

“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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