SCHEMBL21589013

SCHEMBL21589013

Cn1cc(I)c2ccc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.37
MAT2A P31153 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
BRD4 O60885 1/20 0.33
IDO1 P14902 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL30503533 0.79 MAT2A (0.34) MAT2ABRD4IDO1LRRK2
SCHEMBL12889638 0.79 MAT2A (0.34) MAT2ABRD4IDO1LRRK2
SCHEMBL30503542 0.78 MAT2A (0.33) MAT2AIDO1LRRK2
SCHEMBL26631307 0.78 MAT2A (0.33) MAT2AIDO1LRRK2
SCHEMBL24323859 0.74 CCR1 (0.37) HASPINMTNR1AMTNR1BBRD4
SCHEMBL30503618 0.74 LRRK2 (0.47) MAT2ALRRK2
SCHEMBL29601076 0.74 CCR1 (0.37) HASPINMTNR1AMTNR1BBRD4
SCHEMBL25169082 0.74 ALDH1A1 (0.45) MAT2A
SCHEMBL23742486 0.74 MAT2A (0.32) MAT2A
SCHEMBL31525660 0.74 CDK7 (0.36) HASPINMTNR1AMTNR1BBRD4

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
WO-2019233438-A1 KINASE SELECTIVE INHIBITOR 北京大学深圳研究生院 (CN) 2019-12-12 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 HASPIN 2891/4885MAT2A 4489/4885MTNR1A 2267/4885

“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.