SCHEMBL2735459

SCHEMBL2735459

Cc1cc(OCC2CCNCC2)ccc1NC(=O)c1[nH]cnc1C(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.41
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
PIM1 P11309 2/20 0.40
LMNA P02545 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
MEN1 O00255 4/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL2735394 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735458 0.87 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL213423 0.85 MAPT (0.48) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL14222256 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL214382 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL215125 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL212963 0.78 PIM3 (0.42) KMT2APIM3PIM2PIM1CHRM2
Hydrochloric Acid SCHEMBL213989 0.77 PIM3 (0.41) KMT2APIM3PIM2PIM1CHRM2
SCHEMBL214815 0.75 MAPT (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735419 0.75 CHEK2 (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885KMT2A 437/4885KDM4E 952/4885

“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.