SCHEMBL2828455

SCHEMBL2828455

CCOC(Cc1cccnc1Cl)=NC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 3/20 0.33
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
P2RX7 Q99572 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL2828454 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AGAACASP3
SCHEMBL5337175 0.86 FFAR1 (0.38) SMN1; SMN2MEN1KMT2AGAACYP2C19
SCHEMBL5337171 0.86 FFAR1 (0.38) SMN1; SMN2MEN1KMT2AGAACYP2C19
SCHEMBL5349846 0.82 MAPK9 (0.44) SMN1; SMN2MEN1KMT2AGAACYP1A2
SCHEMBL5349848 0.82 MAPK9 (0.44) SMN1; SMN2MEN1KMT2AGAACYP1A2
SCHEMBL5352596 0.81 ALDH1A1 (0.40) KMT2AGAACYP2C19MAPTCYP1A2
SCHEMBL5352600 0.81 ALDH1A1 (0.40) KMT2AGAACYP2C19MAPTCYP1A2
SCHEMBL5342416 0.77 CTBP2 (0.40) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL5342412 0.77 CTBP2 (0.40) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL9532230 0.76 CYP2C19 (0.44) SMN1; SMN2MEN1KMT2AGAACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 SMN1; SMN2 2135/4885MEN1 1978/4885KMT2A 2829/4885

“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.