SCHEMBL28600170

SCHEMBL28600170

Nc1cc(Cl)cc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
NR4A2 P43354 2/20 0.45
F7 P08709 1/20 0.45
LTA4H P09960 1/20 0.45
F3 P13726 1/20 0.45
TNF P01375 1/20 0.42
RIPK1 Q13546 1/20 0.42
CHUK O15111 4/20 0.41
IKBKB O14920 4/20 0.41
CMA1 P23946 1/20 0.41
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL16815127 0.78 IKBKB (0.35) AHRNR4A2TNFRIPK1CHUK
SCHEMBL838245 0.78 AHR (0.54) AHRNR4A2F7LTA4HF3
SCHEMBL21315701 0.78 AHR (0.48) AHRNR4A2F7LTA4HF3
SCHEMBL15388774 0.77 AHR (0.47) AHRTNFRIPK1CHUKIKBKB
SCHEMBL1397681 0.75 CSNK2A1 (0.46) AHRNR4A2F7LTA4HF3
SCHEMBL2599709 0.75 AHR (0.45) AHRNR4A2F7LTA4HF3
SCHEMBL14909105 0.75 TNF (0.57) AHRNR4A2F7LTA4HF3
SCHEMBL13961694 0.75 AHR (0.45) AHRNR4A2F7LTA4HF3
SCHEMBL2380876 0.75 AHR (0.45) AHRNR4A2TNFRIPK1CHUK
SCHEMBL15934119 0.75 TDP1 (0.38) AHRCHUKIKBKBTSHRALDH1A1

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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN 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 (2 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 AHR 2749/4885NR4A2 1189/4885F7 3502/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 AHR 2749/4885NR4A2 1189/4885F7 3502/4885

“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.