SCHEMBL25877303

SCHEMBL25877303

CNNc1ccc(Cl)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.50
▸ CNR2 P34972 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MAOB P27338 1/20 0.38
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL22181446 0.84 ABL1 (0.51) ABL1CNR2MAPTEGFRMAOB
SCHEMBL1702377 0.77 HSD17B10 (0.46) MAPTGLAGAAEGFRMAOB
SCHEMBL26413750 0.76 ABL1 (0.47) ABL1CNR2MAPTEGFRMAOB
SCHEMBL29383418 0.76 MAPT (0.50) ABL1CNR2MAPTGAAEGFR
SCHEMBL11269000 0.76 MAPT (0.50) ABL1CNR2MAPTGAAEGFR
SCHEMBL13727629 0.75 ABL1 (0.47) ABL1CNR2EGFRMAOBMEN1
SCHEMBL3398743 0.75 ABL1 (0.65) ABL1CNR2MAPTEGFRMAOB
Hydrochloric Acid SCHEMBL3666078 0.74 MAPT (0.48) ABL1CNR2MAPTGLAGAA
Hydrochloric Acid SCHEMBL3396043 0.74 ABL1 (0.63) ABL1CNR2MAPTEGFRMAOB
SCHEMBL14817944 0.72 TSHR (0.46) MAPTGLAGAAMAOBLMNA

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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 — — US disclosed
US-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 — — 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 (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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 ABL1 167/4885CNR2 3089/4885MAPT 3388/4885

“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.

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