Sugi Predict

Sugi Predict / Compounds / SCHEMBL3491387

SCHEMBL3491387

SCHEMBL3491387

COc1ccc(-c2cccc(N)c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.52
▸ ABCB1 P08183 2/20 0.52
▸ BCR P11274 2/20 0.52
▸ ADORA3 P0DMS8 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ APP P05067 2/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL6319062 0.90 ABL1 (0.57) ABL1ABCB1BCRADORA3MAPT
SCHEMBL28805236 0.85 ABL1 (0.56) ABL1ABCB1BCRMAPTRAB9A
SCHEMBL28521639 0.85 ABL1 (0.56) ABL1ABCB1BCRADORA3MAPT
SCHEMBL395088 0.84 ABL1 (0.60) ABL1ABCB1BCRADORA3MAPT
SCHEMBL27553476 0.83 ABL1 (0.50) ABL1ABCB1BCRADORA3MAPT
SCHEMBL27938882 0.83 ABL1 (0.50) ABL1ABCB1BCRADORA3MAPT
SCHEMBL3794694 0.83 NPC1 (0.51) ABL1ABCB1BCRADORA3MAPT
SCHEMBL3490386 0.81 TDO2 (0.54) MAPTHDAC4HDAC8KMT2AALDH1A1
SCHEMBL28227264 0.81 ABL1 (0.61) ABL1ABCB1BCRADORA3MAPT
SCHEMBL4928604 0.80 MAPT (0.50) MAPTRAB9ANPC1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974779-B2 Piperidine derivatives as human papilloma virus inhibitors VAXART, INC. (US) 2018-05-22 — — US disclosed
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS VAXART, INC. 2018-01-25 — — US disclosed
US-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS AVIRAGEN THERAPEUTICS INC (US) 2017-03-23 — — US disclosed
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 — — US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 — — EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 — — US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 — — EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 — — EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
CN-101641014-A Poly (ADP-ribose) polymerase inhibitors ABBOTT LAB US 2010-02-03 — — CN disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 — — EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 — — WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 — — US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 — — WO disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 — — EP 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-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ABL1 2725/4885ABCB1 2606/4885BCR 3837/4885
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 ABL1 3843/4885ABCB1 3478/4885BCR 4622/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ABL1 2455/4885ABCB1 2467/4885BCR 3291/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 ABL1 2725/4885ABCB1 2606/4885BCR 3837/4885
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A ABL1 325/4885ABCB1 2777/4885BCR 1377/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ABL1 2455/4885ABCB1 2467/4885BCR 3291/4885

“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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