SCHEMBL1677344

SCHEMBL1677344

c1coc(-c2csc(-c3nc4ncccc4[nH]3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.59
▸ MAPT P10636 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ KDM4C Q9H3R0 1/20 0.56
▸ METAP1 P53582 2/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ METAP2 P50579 1/20 0.48
▸ AURKA O14965 6/20 0.44
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL1677820 0.81 HSD17B10 (0.67) CYP19A1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL12834523 0.81 KDM4E (0.67) CYP19A1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL1677244 0.77 MAPT (0.56) CYP19A1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7253210 0.73 CYP19A1 (0.72) CYP19A1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL1170747 0.71 METAP1 (0.72) METAP1METAP2AURKAPDE5ANUDT1
SCHEMBL1677420 0.70 CYP19A1 (0.49) CYP19A1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL11155883 0.69 AURKA (0.67) ALDH1A1KDM4EMETAP1METAP2AURKA
SCHEMBL3441561 0.68 METAP1 (0.69) MAPTHSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL27514396 0.68 METAP1 (0.55) METAP1METAP2AURKAPDE5ANUDT1
SCHEMBL1678585 0.68 CYP19A1 (0.46) CYP19A1MAPTHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 — — EP disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 — — US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 — — US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 — — EP disclosed
EP-1894930-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-03-05 — — EP 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 (2 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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 CYP19A1 464/4885MAPT 2204/4885HSD17B10 125/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 CYP19A1 2509/4885MAPT 3668/4885HSD17B10 1946/4885

“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