SCHEMBL3589727

SCHEMBL3589727

c1nc2cc3c(cc2[nH]1)CCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PRKCI P41743 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
RAD52 P43351 1/20 0.41
MMP12 P39900 1/20 0.39
TYMS P04818 1/20 0.38

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
SCHEMBL29339065 0.96 MAPT (0.50) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL718877 0.84 MAPT (0.47) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL29860001 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL10699834 0.78 MAPT (0.42) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL14511179 0.77 MAPT (0.68) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL29859868 0.76 DRD2 (0.47) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL29859646 0.76 DRD2 (0.47) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL12445185 0.74 MAPT (0.65) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL29859765 0.73 KDM4E (0.49) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL30592549 0.73 DRD2 (0.49) KDM4EMAPTALDH1A1TDP1APEX1

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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 (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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 KDM4E 990/4885MAPT 447/4885ALDH1A1 3914/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC KDM4E 3894/4885MAPT 2450/4885ALDH1A1 2742/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885MAPT 639/4885ALDH1A1 2597/4885

“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.