Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002273

SCHEMBL2002273

SCHEMBL2002273

COCCOc1ccc([N+](=O)[O-])cc1OCCOC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ S1PR4 O95977 1/20 0.49
▸ CYP19A1 P11511 4/20 0.48
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL17525543 0.95 ALDH1A1 (0.59) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6431028 0.94 MAPT (0.59) MAPTSMN1; SMN2HPGDRAB9ANPC1
Acetonitrile SCHEMBL28046866 0.93 MAPT (0.49) MAPTSMN1; SMN2HPGDRAB9ANPC1
Carbamic Acid SCHEMBL29158265 0.91 MAPT (0.51) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL25258297 0.89 ALDH1A1 (0.53) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL15814707 0.88 MAPT (0.62) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL30729439 0.87 HTT (0.66) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6255209 0.87 ALDH1A1 (0.53) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL11421091 0.87 HTT (0.66) MAPTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL30744023 0.86 MAPT (0.52) MAPTSMN1; SMN2HPGDRAB9ANPC1

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
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 — — CN disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 — — US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 — — US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 — — US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 — — US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 — — US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — US disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 — — WO disclosed
US-7960545-B2 Process for the prepartion of erlotinib NATCO PHARMA LIMITED (IN) 2011-06-14 — — US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-6323163-B1 PERFLUOROPOLYOXYALKYLENE CHAIN HAVING AVERAGE MOLECULAR WEIGHT OF 800 OR MORE, CONTAINING CYCLIC POLYETHER GROUP HAVING AT LEAST 4 OXYGEN ATOMS, ALSO HAVING AMIDE, SULFONAMIDE, ETHER OR ESTER LINKAGE BETWEEN CHAIN AND CYCLIC GROUP HITACHI, LTD. (JP) 2001-11-27 — — US 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 (7 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-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAPT 3269/4885SMN1; SMN2 4194/4885HPGD 2962/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAPT 3269/4885SMN1; SMN2 4194/4885HPGD 2962/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAPT 3269/4885SMN1; SMN2 4194/4885HPGD 2962/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885SMN1; SMN2 2352/4885HPGD 1580/4885

“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.