Sugi Predict

Sugi Predict / Compounds / SCHEMBL2377381

SCHEMBL2377381

SCHEMBL2377381

O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCO)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ PKM P14618 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA7 P43166 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ CA14 Q9ULX7 1/20 0.60
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ KMT2A Q03164 5/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GALR3 O60755 1/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ HPGD P15428 1/20 0.53
▸ KCNJ1 P48048 2/20 0.53
▸ KCNH2 Q12809 2/20 0.53

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
SCHEMBL12247952 0.87 ALDH1A1 (0.60) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL9152022 0.86 CA12 (0.77) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL2375175 0.84 KMT2A (0.74) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL6343338 0.84 ALDH1A1 (0.63) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL17444701 0.83 KCNH2 (0.73) ALDH1A1PKMLMNASMN1; SMN2NPC1
SCHEMBL110101 0.82 ALDH1A1 (0.72) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL12630802 0.82 CA12 (0.59) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL28181299 0.82 ALDH1A1 (0.60) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL27971693 0.82 CA12 (0.70) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL17444657 0.81 KCNJ1 (0.76) ALDH1A1PKMLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016240-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2018-01-18 — — US disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP disclosed
EP-2625176-B1 SUBSTITUTUTED 6-AMINO-PYRIDAZIN-3-YL-CARBOXAMIDE COMPOUNDS AS PROTEIN KINASE MODULATORS XCOVERY HOLDING CO LLC (US) 2016-08-17 — — EP disclosed
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2016-03-10 — — US disclosed
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2016-03-10 — — US disclosed
US-9126947-B2 Substituted pyridazine carboxamide compounds XCOVERY HOLDING COMPANY LLC (US) 2015-09-08 — — US disclosed
US-9126947-B2 Substituted pyridazine carboxamide compounds XCOVERY HOLDING COMPANY LLC (US) 2015-09-08 — — US disclosed
US-20130190298-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS XCOVERY HOLDING COMPANY, LLC. (US) 2013-07-25 — — US disclosed
US-20130190298-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS XCOVERY HOLDING COMPANY, LLC. (US) 2013-07-25 — — US disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 — — CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 — — CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — EP disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 — — US disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 — — EP disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 — — US disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 — — 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 (5 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 ALDH1A1 1526/4885PKM 1102/4885LMNA 1790/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 ALDH1A1 2102/4885PKM 1376/4885LMNA 4407/4885
US-20180016240-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS ALK, MAP4K2, MAP3K15 ALDH1A1 2457/4885PKM 404/4885LMNA 3584/4885
US-20130190298-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS ALK, MAP4K2, MAP3K15 ALDH1A1 2457/4885PKM 404/4885LMNA 3584/4885
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS ALK, MAP4K2, MAP3K15 ALDH1A1 2630/4885PKM 364/4885LMNA 3723/4885

“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.