SCHEMBL18520313

SCHEMBL18520313

Cc1cc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 3/20 0.41
▸ LRRK2 Q5S007 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ CAMKK2 Q96RR4 4/20 0.40
▸ SYK P43405 2/20 0.39
▸ CHUK O15111 3/20 0.39
▸ MAPK8 P45983 3/20 0.39
▸ INSR P06213 1/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36

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
SCHEMBL18520314 0.89 HRH3 (0.41) ACVR1LRRK2HRH3CAMKK2SYK
SCHEMBL18520694 0.84 LRRK2 (0.48) ACVR1LRRK2HRH3CAMKK2CHUK
SCHEMBL18520743 0.84 LRRK2 (0.48) ACVR1LRRK2HRH3CAMKK2SYK
SCHEMBL18520534 0.84 TNKS (0.45) LRRK2HRH3CAMKK2SYKCHUK
SCHEMBL18520602 0.84 LRRK2 (0.46) ACVR1LRRK2HRH3CAMKK2SYK
SCHEMBL21100744 0.83 HRH3 (0.50) LRRK2HRH3CAMKK2SYKCHUK
SCHEMBL18520742 0.81 PDE2A (0.47) LRRK2HRH3CAMKK2CHUKMAPK8
SCHEMBL18520383 0.80 PDE4B (0.52) LRRK2HRH3CAMKK2CHUKMAPK8
SCHEMBL18520696 0.80 LRRK2 (0.41) ACVR1LRRK2HRH3CAMKK2SYK
SCHEMBL18520762 0.80 ABL1 (0.45) ACVR1LRRK2HRH3CAMKK2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 — — US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 — — US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 — — US disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 — — 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT ACVR1 1917/4885LRRK2 3416/4885HRH3 2194/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT ACVR1 1917/4885LRRK2 3416/4885HRH3 2194/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT ACVR1 1917/4885LRRK2 3416/4885HRH3 2194/4885

“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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