SCHEMBL320490

SCHEMBL320490

COc1ncc(OBOc2cnc(OC)nc2OC)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CYP1A2 P05177 4/20 0.33
CRHR1 P34998 1/20 0.33
METAP2 P50579 1/20 0.33
PLAU P00749 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
TUBB4A P04350 1/20 0.32

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
SCHEMBL14466719 0.87 KMT2A (0.38) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL3816071 0.84 KMT2A (0.52) KMT2AQPCTQPCTLCYP1A2CRHR1
Hydrochloric Acid SCHEMBL6635486 0.82 KMT2A (0.50) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL25392565 0.74 KMT2A (0.37) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL30961392 0.74 KMT2A (0.37) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL896346 0.73 GAA (0.57) KMT2AATMNPSR1MEN1SMN1; SMN2
SCHEMBL8888 0.71 QPCT (0.40) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL1494102 0.69 QPCT (0.39) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL8116805 0.69 LRRK2 (0.39) KMT2AQPCTQPCTLCYP1A2CRHR1
SCHEMBL2511301 0.69 QPCT (0.39) KMT2AQPCTQPCTLCYP1A2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
CN-118201941-A CD73 compounds 吉利德科学公司 2024-06-14 CN disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 US disclosed
CN-116478129-A Quinoline compound and use thereof 深圳默元生物科技有限公司 2023-07-25 CN disclosed
CN-111819173-B CD73 inhibitors 伊莱利利公司 2023-06-06 CN disclosed
CN-112041320-B Compound capable of being used as tumor inhibitor and preparation method and application thereof 甘李药业股份有限公司 2023-05-23 CN disclosed
CN-116134029-A Oxo-nitrogen ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-05-16 CN disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
CN-115702150-A CD73 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-02-14 CN disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 KONRADI ANDREI W (US) 2003-07-24 US disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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 (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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E KMT2A 2253/4885QPCT 2128/4885QPCTL 4030/4885
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 VCAM1, ICAM1, ITGB4 KMT2A 686/4885QPCT 2312/4885QPCTL 2802/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 KMT2A 685/4885QPCT 1937/4885QPCTL 3473/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E KMT2A 2253/4885QPCT 2128/4885QPCTL 4030/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA KMT2A 1845/4885QPCT 496/4885QPCTL 2048/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E KMT2A 2581/4885QPCT 2073/4885QPCTL 4031/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 KMT2A 2481/4885QPCT 438/4885QPCTL 1842/4885

“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.