SCHEMBL21071834

SCHEMBL21071834

Cn1cc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.47
▸ LRRK2 Q5S007 4/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ RET P07949 4/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17794955 0.84 LRRK2 (0.48) LRRK2CNR1CNR2BRD4CREBBP
SCHEMBL23761239 0.82 PIK3CD (0.47) LRRK2CNR1CNR2USP30RET
SCHEMBL20329621 0.82 LRRK2 (0.47) LRRK2CREBBPKDM4EUSP2ALDH1A1
SCHEMBL17806614 0.80 LRRK2 (0.45) LRRK2CNR1CNR2BRD4CREBBP
SCHEMBL1814407 0.78 LRRK2 (0.51) AXLLRRK2SMARCA2SMARCA4BRD4
SCHEMBL23753798 0.78 CNR1 (0.52) LRRK2CNR1CNR2SMARCA2SMARCA4
SCHEMBL19175599 0.78 LRRK2 (0.43) LRRK2CNR1CNR2SMARCA2SMARCA4
SCHEMBL2625724 0.77 ALOX5AP (0.54) AXLLRRK2SMARCA2SMARCA4BRD4
SCHEMBL12936324 0.76 ALOX5AP (0.42) AXLLRRK2SMARCA2SMARCA4MET
SCHEMBL17785770 0.75 AXL (0.51) AXLLRRK2SMARCA2SMARCA4BRD4

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-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — 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-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 AXL 4631/4885LRRK2 3113/4885CNR1 11/4885

“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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