SCHEMBL24815313

SCHEMBL24815313

CNC(=O)[C@@H](N)CCCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HRH1 P35367 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALOX15 P16050 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH2 P25021 1/20 0.43
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30050173 1.00 CYP1A2 (0.47) CYP1A2SMN1; SMN2LMNACYP2C19TDP1
SCHEMBL6247750 0.82 PTPRA (0.51) CYP1A2SMN1; SMN2LMNATDP1HRH3
SCHEMBL6247756 0.82 PTPRA (0.51) CYP1A2SMN1; SMN2LMNATDP1HRH3
SCHEMBL27734507 0.82 CYP1A2 (0.51) CYP1A2SMN1; SMN2LMNACYP2C19TDP1
SCHEMBL28078250 0.82 CYP1A2 (0.55) CYP1A2SMN1; SMN2CYP2C19TDP1HRH1
SCHEMBL28078253 0.82 CYP1A2 (0.55) CYP1A2SMN1; SMN2CYP2C19TDP1HRH1
SCHEMBL27734504 0.82 CYP1A2 (0.51) CYP1A2SMN1; SMN2LMNACYP2C19TDP1
Hydrochloric Acid SCHEMBL28915552 0.81 PTPRA (0.50) CYP1A2SMN1; SMN2LMNATDP1HRH3
Hydrochloric Acid SCHEMBL7897236 0.81 PTPRA (0.50) CYP1A2SMN1; SMN2LMNATDP1HRH3
Hydrochloric Acid SCHEMBL8389822 0.81 PTPRA (0.50) CYP1A2SMN1; SMN2LMNATDP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 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 (1 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CYP1A2 3613/4885SMN1; SMN2 1898/4885LMNA 1270/4885

“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.