SCHEMBL17909902

SCHEMBL17909902

Cc1nccc(C(N)=O)c1-c1ccc2c(N)nccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 5/20 0.47
▸ KLKB1 P03952 4/20 0.47
▸ PLG P00747 2/20 0.47
▸ F11 P03951 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ MAP4K4 O95819 2/20 0.46
▸ TARS1 P26639 1/20 0.46
▸ ROCK1 Q13464 2/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ C1S P09871 1/20 0.41
▸ SLC2A1 P11166 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ F9 P00740 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ NOS3 P29474 1/20 0.37

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
SCHEMBL17909822 0.91 SLC2A1 (0.43) F12KLKB1PLGF11PRSS1
SCHEMBL17909899 0.83 F12 (0.46) F12KLKB1PLGF11PRSS1
SCHEMBL17909864 0.76 SYK (0.48) KLKB1PIK3CBKLK1PARP1
SCHEMBL17909818 0.76 CYP2A6 (0.37) TARS1PIK3CBSLC2A1PARP1
SCHEMBL17909801 0.75 PI4K2A (0.50) —
SCHEMBL17909840 0.75 PARP1 (0.46) MAP4K4ROCK1PIK3CBSLC2A1PARP1
SCHEMBL17909895 0.75 SYK (0.42) PIK3CBPARP1
SCHEMBL8141857 0.75 PIK3CB (0.43) F12PLGROCK1PIK3CBC1S
SCHEMBL21632392 0.74 AR (0.49) ROCK1
SCHEMBL17909883 0.74 SYK (0.38) PIK3CBSLC2A1BACE1PARP1

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 77/4885KLKB1 1/4885PLG 36/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885KLKB1 1/4885PLG 36/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885KLKB1 1/4885PLG 36/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F12 77/4885KLKB1 1/4885PLG 36/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 F12 77/4885KLKB1 1/4885PLG 36/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 F12 77/4885KLKB1 1/4885PLG 36/4885

“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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