SCHEMBL742466

SCHEMBL742466

O=C(O)c1ncc(-c2ccncc2)s1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
CDC7 O00311 5/20 0.45
DBF4 Q9UBU7 5/20 0.45
KDR P35968 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LIMK1 P53667 1/20 0.43
ROCK1 Q13464 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 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
SCHEMBL14496869 0.98 CSNK2A1 (0.47) CSNK2A1CDC7DBF4KDRHDAC3
SCHEMBL27768698 0.85 HDAC3 (0.46) CSNK2A1CDC7DBF4KDRHDAC3
SCHEMBL16102044 0.85 KDR (0.54) CSNK2A1KDRHDAC4HDAC1HDAC6
SCHEMBL13437383 0.83 KDR (0.56) CSNK2A1KDRHDAC4HDAC1HDAC6
SCHEMBL6737468 0.83 MKNK1 (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL15896467 0.82 LIMK1 (0.46) CSNK2A1CDC7DBF4KDRHDAC3
SCHEMBL17212175 0.82 HCAR2 (0.46) CSNK2A1CDC7DBF4KDRHDAC4
SCHEMBL2722739 0.81 MKNK1 (0.61) KDRHDAC3HDAC4HDAC1HDAC7
Lithium Ion SCHEMBL742465 0.81 ROCK1 (0.44) CSNK2A1CDC7DBF4KDRHDAC3
SCHEMBL15893969 0.79 LIMK1 (0.51) CSNK2A1CDC7DBF4KDRHDAC3

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (8 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CSNK2A1 4434/4885CDC7 919/4885DBF4 743/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 CSNK2A1 1856/4885CDC7 4311/4885DBF4 3902/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CSNK2A1 4596/4885CDC7 832/4885DBF4 347/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CSNK2A1 4622/4885CDC7 851/4885DBF4 394/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CSNK2A1 4596/4885CDC7 832/4885DBF4 347/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CSNK2A1 4261/4885CDC7 339/4885DBF4 250/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CSNK2A1 4641/4885CDC7 893/4885DBF4 437/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CSNK2A1 4436/4885CDC7 1545/4885DBF4 1666/4885

“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.