SCHEMBL209262

SCHEMBL209262

[c]1ncc(-c2ccncc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
LIMK1 P53667 1/20 0.38
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDR P35968 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL69540 0.80 KDR (0.40) KDRALDH1A1
SCHEMBL745383 0.79 CYP2A6 (0.54) MAPTLMNAKDM4ECYP3A4CYP2C9
SCHEMBL1895969 0.72 APP (0.52) MAPTKDM4ETP53ALDH1A1
Water SCHEMBL16432650 0.72 CYP11B2 (0.41) NOTUMHDAC1HDAC6CYP11B2CYP2A6
SCHEMBL4867372 0.71 MAP4K4 (0.47) MAPTLMNAKDM4ECYP3A4TP53
SCHEMBL2897272 0.71 IDO1 (0.41) KDRIDO1ALDH1A1HPGD
SCHEMBL1900288 0.71 BACE1 (0.41) NOTUMCYP1A2IDO1TP53
SCHEMBL17626058 0.69 ALDH1A1 (0.40) MAPTLMNAKDM4ECYP3A4CYP2C19
SCHEMBL17028871 0.69 IDO1 (0.46) NOTUMIDO1ALDH1A1
SCHEMBL2750867 0.68 HSD17B1 (0.40) NOTUMKDM4ECYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US 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-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885LIMK1 4785/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885LIMK1 4785/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885LIMK1 4785/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MAPT 4302/4885LMNA 2682/4885LIMK1 4403/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MAPT 4230/4885LMNA 2829/4885LIMK1 4788/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPT 4605/4885LMNA 868/4885LIMK1 1797/4885

“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.