SCHEMBL23327273

SCHEMBL23327273

COc1cc(F)cc(OC)c1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 3/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.44
MAP2K1 Q02750 1/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA9 Q16790 1/20 0.40
TNFSF11 O14788 1/20 0.38

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
SCHEMBL29788622 0.88 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL16510666 0.88 CYP3A4 (0.51) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327138 0.88 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL14992759 0.87 SMN1; SMN2 (0.46) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327134 0.86 CYP3A4 (0.42) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL4743848 0.80 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL2029772 0.80 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL12248741 0.80 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL24977661 0.79 KMT2A (0.52) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL30800444 0.79 KMT2A (0.52) CYP3A4MAPK1USP2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2026-01-20 US disclosed
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP disclosed
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 WO disclosed
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP disclosed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US disclosed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 US 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 (6 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 CYP3A4 4679/4885MAPK1 752/4885USP2 1074/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 CYP3A4 4679/4885MAPK1 752/4885USP2 1074/4885
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS CHEK1, CHEK2, BUB1 CYP3A4 2547/4885MAPK1 337/4885USP2 1769/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 CYP3A4 4679/4885MAPK1 752/4885USP2 1074/4885
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, RAD1, CHEK2 CYP3A4 3902/4885MAPK1 320/4885USP2 1965/4885
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications CHEK1, CHEK2, BUB1 CYP3A4 2547/4885MAPK1 337/4885USP2 1769/4885

“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.