SCHEMBL21100744

SCHEMBL21100744

Cc1cc2nccc(C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.50
▸ TNKS O95271 1/20 0.47
▸ CAMKK2 Q96RR4 3/20 0.44
▸ EGFR P00533 2/20 0.44
▸ FLT1 P17948 2/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CHUK O15111 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ INSR P06213 1/20 0.42
▸ SYK P43405 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ JAK2 O60674 2/20 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
SCHEMBL18520741 0.90 HRH3 (0.47) HRH3CAMKK2EGFRFLT1CHEK1
SCHEMBL18520694 0.87 LRRK2 (0.48) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520602 0.87 LRRK2 (0.46) HRH3CAMKK2CHEK1CHUKMAPK8
SCHEMBL18520743 0.87 LRRK2 (0.48) HRH3CAMKK2CHEK1CHUKMAPK8
SCHEMBL18520534 0.87 TNKS (0.45) HRH3TNKSCAMKK2EGFRFLT1
SCHEMBL18520314 0.85 HRH3 (0.41) HRH3CAMKK2EGFRFLT1CHEK1
SCHEMBL18520742 0.85 PDE2A (0.47) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520762 0.84 ABL1 (0.45) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520696 0.84 LRRK2 (0.41) HRH3CAMKK2CHUKMAPK8LRRK2
SCHEMBL18520383 0.84 PDE4B (0.52) HRH3TNKSCAMKK2CHUKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 — — 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HRH3 2194/4885TNKS 1733/4885CAMKK2 4246/4885

“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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