SCHEMBL5742166

SCHEMBL5742166

N[C@@H](CO)Cc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ LOXL2 Q9Y4K0 2/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ANPEP P15144 2/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ PCNA P12004 1/20 0.39
▸ LIG1 P18858 1/20 0.39
▸ AKT1 P31749 2/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL6092768 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
SCHEMBL5742009 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
Hydrochloric Acid SCHEMBL22264027 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
Hydrochloric Acid SCHEMBL21144792 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
Hydrochloric Acid SCHEMBL21144790 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
SCHEMBL5007558 0.82 LOXL2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
SCHEMBL5066649 0.81 TAAR1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
SCHEMBL6938911 0.80 SLC6A4 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19LOXL2
SCHEMBL14860759 0.79 PRKCI (0.63) CYP3A4EPHX1
SCHEMBL8328921 0.78 FDPS (0.53) CYP1A2CYP3A4CYP2C9DPP4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 — — US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 — — EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 — — US disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 — — WO disclosed
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 — — US disclosed
CN-1777608-A fused pyrimidine derivatives KYOWA HAKKO KOGYO KK (JP) 2006-05-24 — — CN disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 — — EP disclosed
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 — — US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 — — EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 — — US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 — — 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 (4 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 CYP1A2 909/4885CYP3A4 1270/4885CYP2C9 403/4885
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L CYP1A2 1559/4885CYP3A4 2947/4885CYP2C9 3177/4885
US-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R CYP1A2 2679/4885CYP3A4 205/4885CYP2C9 2092/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CYP1A2 1559/4885CYP3A4 2947/4885CYP2C9 3177/4885

“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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