SCHEMBL14218699

SCHEMBL14218699

CCN1CCCN(c2ncccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MDM2 Q00987 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2633644 0.93 MEN1 (0.54) MEN1KMT2AKDM4EMDM2ALDH1A1
SCHEMBL82205 0.83 DHFR (0.44) KDM4EALDH1A1
SCHEMBL15688241 0.80 KDM4E (0.57) KDM4ETMEM97SIGMAR1ALDH1A1POLB
SCHEMBL2168776 0.80 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6292618 0.79 TMEM97 (0.51) MEN1KMT2ATMEM97SIGMAR1
SCHEMBL14161933 0.78 HTR1A (0.47) MEN1KMT2AKDM4ETMEM97SIGMAR1
Ammonia Solution, Strong SCHEMBL28080150 0.78 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
Water SCHEMBL28082091 0.78 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3910170 0.78 LMNA (0.57) MEN1KMT2ASIGMAR1
Fluoride SCHEMBL28112400 0.76 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 MEN1 13/4885KMT2A 2391/4885KDM4E 2865/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MEN1 63/4885KMT2A 3318/4885KDM4E 3393/4885

“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.