SCHEMBL20030902

SCHEMBL20030902

Cn1ccc2c(Cl)cc(C#N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
KDM4E B2RXH2 2/20 0.34
RORC P51449 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KMO O15229 1/20 0.33
PSMB8 P28062 1/20 0.33
GRM2 Q14416 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 2/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL30540477 1.00 PIM1 (0.44) PIM1KDM4ERORCMAPTALDH1A1
SCHEMBL30971118 0.81 PIM1 (0.32) PIM1KDM4EALDH1A1HRH4CTSS
SCHEMBL29697245 0.78 HRH4 (0.36) MAPTHRH4LMNA
SCHEMBL22024527 0.78 HRH4 (0.36) MAPTHRH4LMNA
SCHEMBL19953341 0.76 LMNA (0.44) KDM4EMAPTALDH1A1HRH4LMNA
SCHEMBL29598922 0.76 LMNA (0.44) KDM4EMAPTALDH1A1HRH4LMNA
SCHEMBL19260905 0.74 PSMB8 (0.42) PIM1KDM4EMAPTALDH1A1HPGD
SCHEMBL20030912 0.72 ESR2 (0.30)
SCHEMBL24373012 0.71 ALDH1A1 (0.35) KDM4EMAPTALDH1A1HPGDHRH4
SCHEMBL21663753 0.70 CDC7 (0.47) KDM4EMAPTALDH1A1LMNASMN1; SMN2

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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 US disclosed
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-05-06 US disclosed
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-05-06 US disclosed
US-10899759-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-01-26 US disclosed
WO-2018063552-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2018-04-05 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 (3 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG PIM1 1921/4885KDM4E 996/4885RORC 28/4885
US-10899759-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 PIM1 4090/4885KDM4E 1530/4885RORC 969/4885
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 PIM1 4090/4885KDM4E 1530/4885RORC 969/4885

“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.