SCHEMBL24377989

SCHEMBL24377989

C=CC(=O)N1CC(C(=O)NCc2cnn(C)c2)Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 4/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CHRM1 P11229 3/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 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
SCHEMBL29516400 1.00 MAPK1 (0.54) MAPK1L3MBTL1HPGDHTTCYP1A2
SCHEMBL24378005 0.85 MAPK1 (0.55) MAPK1L3MBTL1HPGDHTTCYP1A2
SCHEMBL29516358 0.75 HPGD (0.60) MAPK1L3MBTL1HPGDHTTCYP1A2
SCHEMBL24377990 0.75 HPGD (0.60) MAPK1L3MBTL1HPGDHTTCYP1A2
SCHEMBL26938750 0.74 SIRT3 (0.45) MEN1KMT2A
SCHEMBL24378145 0.74 KMT2A (0.37) HPGDHTTRAB9AALDH1A1SMN1; SMN2
SCHEMBL29516215 0.74 POLB (0.47) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL24378150 0.74 POLB (0.47) L3MBTL1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL29516333 0.73 SIRT1 (0.55)
SCHEMBL24378022 0.73 SIRT1 (0.55)

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 5 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
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 MAPK1 1279/4885L3MBTL1 2629/4885HPGD 2028/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 MAPK1 1540/4885L3MBTL1 1387/4885HPGD 962/4885

“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.