Sugi Predict

Sugi Predict / Compounds / SCHEMBL2776027

SCHEMBL2776027

SCHEMBL2776027

CC/C(=N\O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.71
▸ TP53 P04637 1/20 0.49
▸ GAA P10253 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL10041972 1.00 ATM (0.71) ATMTP53GAAKMT2AMEN1
SCHEMBL264821 1.00 ATM (0.71) ATMTP53GAAKMT2AMEN1
SCHEMBL28059946 0.98 ATM (0.68) ATMTP53GAAKMT2AMEN1
SCHEMBL8308609 0.87 ATM (0.55) ATMGAAKMT2AMEN1ALDH1A1
SCHEMBL14604957 0.82 ATM (0.54) ATMKMT2AMEN1ALDH1A1MAPT
SCHEMBL5449384 0.82 ATM (0.54) ATMKMT2AMEN1ALDH1A1MAPT
SCHEMBL5449388 0.82 ATM (0.54) ATMKMT2AMEN1ALDH1A1MAPT
SCHEMBL14087516 0.81 ATM (0.71) ATMTP53GAAKMT2AALDH1A1
SCHEMBL13254457 0.81 ATM (0.71) ATMTP53GAAKMT2AALDH1A1
SCHEMBL1057122 0.80 ATM (0.52) ATMTP53GAAKMT2AMEN1

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
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 — — EP disclosed
US-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-04-27 — — US disclosed
US-9481646-B2 Low calcemic, highly antiproliferative, analogs of calcitriol THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-01 — — US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 — — US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 — — US disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 — — US disclosed
EP-2013835-B1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
US-8933240-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-13 — — US disclosed
EP-2816024-A1 Chiral amines Sunovion Pharmaceuticals Inc. (US) 2014-12-24 — — EP disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 — — US disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 — — US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 — — US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 — — US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 — — US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 — — US disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 — — EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 — — WO disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 — — US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 — — US disclosed
WO-2007115185-A2 PREPARATION OF CHIRAL AMIDES AND AMINES SEPRACOR INC. (US) 2007-10-11 — — 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-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 ATM 4635/4885TP53 3186/4885GAA 2043/4885
US-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL VDR, CYP24A1, CYP27B1 ATM 4262/4885TP53 108/4885GAA 3082/4885
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 ATM 4635/4885TP53 3186/4885GAA 2043/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 ATM 4635/4885TP53 3186/4885GAA 2043/4885
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 ATM 2241/4885TP53 1685/4885GAA 565/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 ATM 4635/4885TP53 3186/4885GAA 2043/4885

“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.