SCHEMBL18520695

SCHEMBL18520695

Cc1cc2nccc(-c3ccccc3C(=O)O)c2c(C)c1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.46
▸ CHUK O15111 4/20 0.44
▸ MAPK8 P45983 4/20 0.44
▸ CAMKK2 Q96RR4 4/20 0.44
▸ INSR P06213 2/20 0.44
▸ AGTR1 P30556 4/20 0.42
▸ SYK P43405 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90AB1 P08238 2/20 0.41
▸ AGTR2 P50052 2/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PIK3CD O00329 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
SCHEMBL21100828 0.92 SYK (0.49) DHODHCHUKMAPK8CAMKK2INSR
SCHEMBL18520694 0.87 LRRK2 (0.48) CHUKMAPK8CAMKK2INSRHSP90AA1
SCHEMBL18520742 0.86 PDE2A (0.47) CHUKMAPK8CAMKK2INSRPDCD1
SCHEMBL18520309 0.86 CAMKK2 (0.42) CHUKMAPK8CAMKK2INSRHSP90AA1
SCHEMBL18520534 0.83 TNKS (0.45) CHUKMAPK8CAMKK2INSRSYK
SCHEMBL18520388 0.83 LRRK2 (0.52) CHUKMAPK8CAMKK2INSRSYK
SCHEMBL18520762 0.82 ABL1 (0.45) CHUKMAPK8CAMKK2INSR
SCHEMBL18520601 0.81 JAK2 (0.42) CHUKMAPK8CAMKK2SYKSMN1; SMN2
SCHEMBL18520602 0.81 LRRK2 (0.46) CHUKMAPK8CAMKK2INSRSYK
SCHEMBL18520743 0.81 LRRK2 (0.48) CHUKMAPK8CAMKK2INSRSYK

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 DHODH 471/4885CHUK 3476/4885MAPK8 3896/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DHODH 471/4885CHUK 3476/4885MAPK8 3896/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT DHODH 471/4885CHUK 3476/4885MAPK8 3896/4885

“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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