SCHEMBL18712054

SCHEMBL18712054

CNNc1nc2c(c(=O)[nH]1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ PKM P14618 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 4/20 0.49
▸ ALPL P05186 1/20 0.48
▸ ALPI P09923 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ SPR P35270 1/20 0.43
▸ CXCR2 P25025 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP13 P45452 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
SCHEMBL18689591 0.79 PKM (0.55) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL10150407 0.73 PARP1 (0.59) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL3680582 0.71 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL31087188 0.70 HPGD (0.59) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL3122203 0.69 PARP1 (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18703579 0.69 HPGD (0.49) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL17086636 0.69 HPGD (0.49) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL18689727 0.69 HPGD (0.50) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL9878449 0.69 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL18689663 0.69 HPGD (0.61) MAPTLMNAHPGDTP53SPR

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-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

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 MAPT 3010/4885SMN1; SMN2 2655/4885NPC1 2977/4885

“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.

Send feedback