SCHEMBL8567989

SCHEMBL8567989

CNC(=O)C1CNc2ccccc2O1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.69
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NISCH Q9Y2I1 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CASR P41180 1/20 0.38
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8567990 1.00 HPGD (0.69) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8567992 1.00 HPGD (0.69) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL17432715 0.84 HPGD (0.64) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL15373676 0.83 HPGD (0.62) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL24377945 0.82 HPGD (0.62) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30556479 0.82 HPGD (0.62) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL17432607 0.82 HPGD (1.00) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8562494 0.82 HPGD (0.61) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8562493 0.82 HPGD (0.61) HPGDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1689603 0.82 HPGD (0.61) HPGDKMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-03-10 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
EP-4232161-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-08-30 EP disclosed
CN-116323571-A Covalent inhibitors of Creatine Kinase (CK) and their use for the treatment and prevention of cancer 丹娜法伯癌症研究院 2023-06-23 CN disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO disclosed
WO-2016006593-A1 NOVEL BENZOXAZINE DERIVATIVE AND MEDICINE COMPRISING SAME 国立研究開発法人国立長寿医療研究センター 2016-01-14 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP 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 (2 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-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer CSNK1A1L, CKMT1A; CKMT1B, KHK HPGD 2028/4885KMT2A 476/4885CYP1A2 2678/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 HPGD 962/4885KMT2A 464/4885CYP1A2 3343/4885

“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.