SCHEMBL17917465

SCHEMBL17917465

CN/C=N\C=N\c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.55
▸ MAPT P10636 6/20 0.39
▸ LMNA P02545 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ SIGMAR1 Q99720 6/20 0.35
▸ HTT P42858 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ GRIN2D O15399 3/20 0.34
▸ GRIN3B O60391 3/20 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
SCHEMBL11210021 0.84 CYP2C9 (0.68) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL11531465 0.84 CYP2C9 (0.68) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL13241355 0.84 CYP2C9 (0.68) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL16479735 0.72 CYP2C9 (0.52) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL10972589 0.71 CYP2C9 (0.66) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL29472028 0.71 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL239325 0.71 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL239326 0.71 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL11860615 0.69 CYP2C9 (0.48) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL9336284 0.69 CYP2C9 (0.57) CYP2C9MAPTLMNAALDH1A1KDM4E

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-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT CYP2C9 1489/4885MAPT 2351/4885LMNA 4603/4885

“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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