SCHEMBL3467262

SCHEMBL3467262

[CH2]CCCN1CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
USP2 O75604 1/20 0.72
CDK4 P11802 1/20 0.72
ALOX15 P16050 1/20 0.72
CCND1 P24385 1/20 0.72
MAPT P10636 4/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TRPM5 Q9NZQ8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.44
CHRM2 P08172 2/20 0.43

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
SCHEMBL5538043 0.93 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1811216 0.89 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7589564 0.85 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5660958 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6216648 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7068245 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30672960 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3642723 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5636449 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 EP disclosed
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 US disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 US disclosed
WO-2010072823-A1 PYRAZOLE[1,5a]PYRIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2010-07-01 WO 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 (3 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 3830/4885MEN1 3922/4885KMT2A 1266/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 3830/4885MEN1 3922/4885KMT2A 1266/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 ALDH1A1 3830/4885MEN1 3922/4885KMT2A 1266/4885

“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.