SCHEMBL6737468

SCHEMBL6737468

O=C(O)c1ncc(-c2cccnc2)s1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.59
MKNK2 Q9HBH9 2/20 0.59
KMO O15229 2/20 0.53
CYP2A6 P11509 8/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 2/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HPGDS O60760 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL2722739 0.98 MKNK1 (0.61) MKNK1MKNK2KMOCYP2A6CYP3A4
SCHEMBL27790185 0.86 MKNK1 (0.54) MKNK1MKNK2KMOCYP2A6CYP3A4
SCHEMBL16102044 0.86 KDR (0.54) CYP3A4CYP2C9ALDH1A1HDAC4HDAC1
SCHEMBL13437383 0.84 KDR (0.56) CYP3A4CYP2C9ALDH1A1HDAC4HDAC1
SCHEMBL742466 0.83 CSNK2A1 (0.46) MKNK1MKNK2HDAC3HDAC4HDAC1
Lithium Ion SCHEMBL6737462 0.82 MKNK1 (0.50) MKNK1MKNK2KMOCYP2A6CYP3A4
SCHEMBL14496869 0.81 CSNK2A1 (0.47) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL17201697 0.80 ALDH1A1 (0.61) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL17212188 0.79 HCAR2 (0.43) MKNK1MKNK2ALDH1A1GAAHCAR2
SCHEMBL21979546 0.77 ALDH1A1 (0.47) MKNK1MKNK2ALDH1A1GAAHPGDS

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
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (3 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 MKNK1 4210/4885MKNK2 4273/4885KMO 470/4885
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MKNK1 1428/4885MKNK2 1269/4885KMO 623/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MKNK1 1428/4885MKNK2 1269/4885KMO 623/4885

“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.