SCHEMBL17813820

SCHEMBL17813820

C=CCOc1nnc(C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
MGMT P16455 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL17813819 0.81 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTCYP2D6
SCHEMBL17808317 0.80
SCHEMBL17813866 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL26496256 0.68 CYP2D6 (0.31) CDK1CDK2CYP2D6
SCHEMBL28985011 0.66 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6232310 0.66 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12896014 0.64 LMNA (0.32)
SCHEMBL12765876 0.64 LMNA (0.41) KMT2AKDM4EALDH1A1MAPTCYP2D6
SCHEMBL11420950 0.64 MAPT (0.32) KDM4EALDH1A1MAPTCA12CA9
SCHEMBL18699147 0.63 ELANE (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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 (1 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 MEN1 2767/4885KMT2A 1627/4885KDM4E 953/4885

“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.