Sugi Predict

Sugi Predict / Compounds / SCHEMBL165889

SCHEMBL165889

SCHEMBL165889

CC(=O)NC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ PDE2A O00408 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ OGG1 O15527 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL1933209 0.84 PDE2A (0.46) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL8351698 0.82 ACACB (0.49) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL15118619 0.82 ACACB (0.49) ACACBMEN1KMT2AALDH1A1MAPT
SCHEMBL3650222 0.81 RAB9A (0.43) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL22938368 0.81 PDE2A (0.44) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL2815438 0.80 ACACB (0.48) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL1851604 0.80 PDE2A (0.48) ACACBPDE2AALDH1A1LMNAHDAC1
SCHEMBL5987647 0.80 ACACB (0.48) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL14809489 0.80 TP53 (0.41) ACACBRAB9ANPC1PDE2AALDH1A1
SCHEMBL8390808 0.80 POLB (0.50) ACACBRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 — — US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 — — US disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2797885-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-08-10 — — EP disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 — — US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 — — US disclosed
EP-2928888-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS Hutchison Medipharma Limited (CN) 2015-10-14 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 — — WO disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 — — WO disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
EP-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 — — EP disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — 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 (4 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-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL ACACB 870/4885RAB9A 282/4885MEN1 2095/4885
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN ACACB 4518/4885RAB9A 4549/4885MEN1 4076/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885RAB9A 2480/4885MEN1 500/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN ACACB 4518/4885RAB9A 4549/4885MEN1 4076/4885

“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.