SCHEMBL24377945

SCHEMBL24377945

O=C(Nc1ccccc1)C1CNc2ccccc2O1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
RCE1 Q9Y256 1/20 0.47
ROCK2 O75116 2/20 0.47
AKT1 P31749 2/20 0.47
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30556479 1.00 HPGD (0.62) HPGDPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL17432715 0.84 HPGD (0.64) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8567990 0.82 HPGD (0.69) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL8567992 0.82 HPGD (0.69) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL8567989 0.82 HPGD (0.69) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL924190 0.82 HPGD (0.59) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL5762322 0.81 RAB9A (0.54) HPGDPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL31421792 0.81 HPGD (0.54) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL26504279 0.81 HPGD (0.54) HPGDCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL24377991 0.81 HPGD (0.70) HPGDCYP1A2CYP2C9CYP2C19RAB9A

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 6 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
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

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 2028/4885POLB 2402/4885CYP1A2 2678/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 HPGD 962/4885POLB 2308/4885CYP1A2 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.