SCHEMBL14108680

SCHEMBL14108680

Cc1cc(I)c(N)nc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TERT O14746 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ NQO1 P15559 1/20 0.31

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
SCHEMBL7123821 0.81 NOS3 (0.38) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL4065968 0.77 LMNA (0.41) LMNAALDH1A1KMT2ATERT
SCHEMBL31453144 0.77 TDP1 (0.39) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL20455590 0.77 ALDH1A1 (0.34) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL28292898 0.77 NOS3 (0.44) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL9753602 0.77 NOS3 (0.44) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL20280105 0.75 CYP3A4 (0.43) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL15566038 0.74 KDM4E (0.31) LMNAKDM4E
SCHEMBL15568542 0.73 KDM4E (0.42) CYP1A2LMNAKDM4EALDH1A1POLB
SCHEMBL24455092 0.71 CD44 (0.41) NOS3NOS1NOS2CYP1A2LMNA

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-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 — — US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 — — 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-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT NOS3 2157/4885NOS1 2470/4885NOS2 1190/4885

“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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