SCHEMBL517608

SCHEMBL517608

COc1cc(N2CCC(N)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.49
DPP4 P27487 7/20 0.46
SUV39H2 Q9H5I1 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LGMN Q99538 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
PTK2B Q14289 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
S100B P04271 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL13362039 0.91 DPP4 (0.50) GAKDPP4SUV39H2ALDH1A1TDP1
SCHEMBL5392814 0.91 DPP4 (0.50) GAKDPP4SUV39H2ALDH1A1TDP1
SCHEMBL17265199 0.89 ALDH1A1 (0.46) DPP4ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29989539 0.88 MEN1 (0.45) DPP4ALDH1A1TDP1CYP3A4TSHR
SCHEMBL15358736 0.87 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL310068 0.86 NTSR1 (0.43) DPP4SUV39H2ALDH1A1TDP1CYP3A4
SCHEMBL3345453 0.86 NTSR1 (0.43) DPP4SUV39H2ALDH1A1TDP1CYP3A4
SCHEMBL30682434 0.86 NTSR1 (0.43) DPP4SUV39H2ALDH1A1TDP1CYP3A4
SCHEMBL1911855 0.84 DPP4 (0.53) DPP4SUV39H2ALDH1A1MAPTLMNA
SCHEMBL13380460 0.84 SUV39H2 (0.44) DPP4SUV39H2ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
WO-2017097113-A1 AMINOPYRIMIDINE COMPOUNDS FOR INHIBITING ACITIVITY OF PROTEIN TYROSINE KINASE 深圳市塔吉瑞生物医药有限公司 2017-06-15 WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 GAK 132/4885DPP4 2538/4885SUV39H2 2407/4885

“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.