SCHEMBL20825839

SCHEMBL20825839

O=C(Nc1ccnc2ccccc12)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ FLT3 P36888 1/20 0.49
▸ GPER1 Q99527 1/20 0.48
▸ RXFP1 Q9HBX9 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ APP P05067 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL17149778 0.92 CYP1A2 (0.61) CYP1A2CYP3A4MEN1KMT2AGPER1
SCHEMBL17149708 0.83 CYP1A2 (0.61) CYP1A2CYP3A4MEN1KMT2ARXFP1
SCHEMBL17149915 0.82 FLT3 (0.58) CYP1A2CYP3A4MEN1KMT2AFLT3
SCHEMBL17149795 0.82 MEN1 (0.50) MEN1KMT2AFLT3GPER1RXFP1
SCHEMBL28144771 0.79 RXFP1 (0.57) MEN1KMT2AFLT3GPER1RXFP1
SCHEMBL27336654 0.78 FLT3 (0.58) MEN1KMT2AFLT3RXFP1KDM4E
SCHEMBL2760116 0.78 FLT3 (0.54) CYP1A2MEN1KMT2AFLT3GPER1
SCHEMBL2735816 0.77 FLT3 (0.57) MEN1KMT2AFLT3RXFP1KDM4E
SCHEMBL10191579 0.77 NHERF1 (0.74) MEN1KMT2AFLT3GPER1RXFP1
SCHEMBL2735821 0.76 RXFP1 (0.58) MEN1KMT2AFLT3RXFP1KDM4E

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-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 — — 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-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 NR4A1 2085/4885CYP1A2 67/4885CYP3A4 50/4885

“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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