SCHEMBL18689591

SCHEMBL18689591

NNc1nc2c(c(=O)[nH]1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ HPGD P15428 3/20 0.51
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ SPR P35270 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL18712054 0.79 MAPT (0.54) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL31087188 0.76 HPGD (0.59) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL3680582 0.73 MAPT (0.52) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL31087172 0.73 HPGD (0.56) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL10568181 0.72 HPGD (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL18703579 0.72 HPGD (0.49) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL17086636 0.72 HPGD (0.49) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL18689727 0.72 HPGD (0.50) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL10150407 0.72 PARP1 (0.59) PKML3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL14638381 0.71 PARP1 (0.54) PKML3MBTL1MAPTLMNAHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 — — EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PKM 2544/4885L3MBTL1 1901/4885MAPT 3010/4885

“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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