Sugi Predict

Sugi Predict / Compounds / SCHEMBL6230633

SCHEMBL6230633

SCHEMBL6230633

O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ HTR1A P08908 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ RAB9A P51151 1/20 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
SCHEMBL6232220 0.99 ALDH1A1 (0.53) ALDH1A1PKMHTR3EHTR3BCYP1A2
SCHEMBL6231556 0.87 HTR1A (0.51) ALDH1A1PKMHTR3EHTR3BCYP1A2
SCHEMBL6232309 0.87 CTSB (0.55) ALDH1A1PKMHTR3EHTR3BCYP1A2
SCHEMBL10365458 0.85 ALDH1A1 (0.46) ALDH1A1PKMHTR3EHTR3BCYP1A2
SCHEMBL6231291 0.83 ALDH1A1 (0.53) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL5766028 0.81 TRPV6 (0.49) ALDH1A1PKMHTR3EHTR3BCYP1A2
SCHEMBL6233604 0.80 MCHR1 (0.49) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6230997 0.80 MCHR1 (0.49) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6255250 0.77 MCHR1 (0.52) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL5873582 0.77 ALDH1A1 (0.76) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180008607-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2018-01-11 — — US disclosed
US-9763949-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2017-09-19 — — US disclosed
US-9763949-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2017-09-19 — — US disclosed
US-20170224689-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA BIOSCIENCES INC. (US) 2017-08-10 — — US disclosed
US-20170224689-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA BIOSCIENCES INC. (US) 2017-08-10 — — US disclosed
EP-3170825-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA Biosciences Inc. (US) 2017-05-24 — — EP disclosed
EP-2880035-B9 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA BIOSCIENCES INC (US) 2017-05-17 — — EP disclosed
US-9623027-B2 — — 2017-04-18 — — US disclosed
US-9623027-B2 — — 2017-04-18 — — US disclosed
US-9586965-B2 Pyrrolo[2,3-d]pyrimidine compounds as inhibitors of protein kinases ACEA BIOSCIENCES INC. (US) 2017-03-07 — — US disclosed
US-20150246047-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2015-09-03 — — US disclosed
US-20150210702-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA Therapeutics, Inc. 2015-07-30 — — US disclosed
US-20150210702-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA Therapeutics, Inc. 2015-07-30 — — US disclosed
US-9034885-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2015-05-19 — — US disclosed
US-9034885-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2015-05-19 — — US disclosed
US-20140038940-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
US-20140038940-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 — — WO 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-20140038940-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2873/4885PKM 2235/4885HTR3E 1036/4885
US-20180008607-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2873/4885PKM 2235/4885HTR3E 1036/4885
US-20170224689-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES BMX, ITK, BLK ALDH1A1 4330/4885PKM 861/4885HTR3E 1580/4885
US-20150246047-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2873/4885PKM 2235/4885HTR3E 1036/4885
US-20150210702-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES BMX, ITK, BLK ALDH1A1 4330/4885PKM 861/4885HTR3E 1580/4885
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2873/4885PKM 2235/4885HTR3E 1036/4885

“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.