SCHEMBL17909840

SCHEMBL17909840

Cc1cnc2ccc(-c3c(C(N)=O)ccnc3C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ HSP90AA1 P07900 2/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ ACVR1 Q04771 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
SCHEMBL18425031 0.88 KLKB1 (0.39) PARP1SLC2A1KDM4EABL1PIK3CB
SCHEMBL17909837 0.84 HSP90AA1 (0.48) PARP1HSP90AA1CYP1A2KDM4EPIK3CB
SCHEMBL17909864 0.81 SYK (0.48) PARP1CYP1A2KDM4EABL1PIK3CB
SCHEMBL17909846 0.80 KDM4E (0.40) PARP1KDM4EABL1PIK3CBMKNK1
SCHEMBL17909822 0.79 SLC2A1 (0.43) PARP1SLC2A1KDM4EABL1PIK3CB
SCHEMBL17909883 0.79 SYK (0.38) PARP1SLC2A1KDM4EABL1PIK3CB
SCHEMBL18426561 0.77 AAK1 (0.39) PARP1HSP90AA1SLC2A1KDM4EABL1
SCHEMBL17909895 0.76 SYK (0.42) PARP1CYP1A2PIK3CBKDRTGFBR1
SCHEMBL21632392 0.76 AR (0.49) CDK8CLK2CDK5ROCK1DYRK1A
SCHEMBL18426150 0.76 PARP1 (0.49) PARP1SLC2A1ABL1PIK3CBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20200031800-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 (7 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885HSP90AA1 1629/4885CYP1A2 3187/4885

“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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