SCHEMBL2229109

SCHEMBL2229109

Nc1cccc(OCC(=O)N2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.72
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 1/20 0.61
POLB P06746 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 3/20 0.57
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL3096037 0.85 FKBP1A (0.74) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL13606473 0.84 FKBP1A (0.72) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL12409096 0.84 KDM4E (0.78) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL2712996 0.83 FKBP1A (0.74) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL8320871 0.83 ALDH1A1 (0.79) FKBP1ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL10272936 0.82 FKBP1A (0.72) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL528448 0.82 ALDH1A1 (0.72) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL10224026 0.81 FKBP1A (0.65) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL4403140 0.81 FKBP1A (0.67) FKBP1ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL12017407 0.81 FKBP1A (0.67) FKBP1ASMN1; SMN2MAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (8 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 FKBP1A 1145/4885SMN1; SMN2 2352/4885MAPT 1888/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FKBP1A 1145/4885SMN1; SMN2 2352/4885MAPT 1888/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK FKBP1A 3059/4885SMN1; SMN2 4194/4885MAPT 3269/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 FKBP1A 1145/4885SMN1; SMN2 2352/4885MAPT 1888/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L FKBP1A 3287/4885SMN1; SMN2 1109/4885MAPT 1728/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 FKBP1A 2783/4885SMN1; SMN2 2891/4885MAPT 2723/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK FKBP1A 2792/4885SMN1; SMN2 986/4885MAPT 438/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK FKBP1A 3059/4885SMN1; SMN2 4194/4885MAPT 3269/4885

“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.