SCHEMBL10080588

SCHEMBL10080588

O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(Cl)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.74
MAPK1 P28482 1/20 0.74
POLB P06746 6/20 0.64
TDP1 Q9NUW8 2/20 0.64
BLM P54132 1/20 0.64
MAPT P10636 3/20 0.60
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
ATF4 P18848 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
ENPP2 Q13822 1/20 0.50
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10064243 0.89 USP2 (0.72) USP2MAPK1POLBTDP1BLM
SCHEMBL12943736 0.87 USP2 (0.69) USP2MAPK1POLBTDP1BLM
Hydrochloric Acid SCHEMBL17019883 0.86 USP2 (0.68) USP2MAPK1POLBTDP1BLM
SCHEMBL10080587 0.84 USP2 (0.66) USP2MAPK1POLBTDP1BLM
SCHEMBL943950 0.82 PKM (0.66) USP2MAPK1POLBTDP1BLM
SCHEMBL9951224 0.80 USP2 (0.75) USP2MAPK1POLBTDP1BLM
SCHEMBL9950627 0.79 USP2 (0.65) USP2MAPK1POLBTDP1BLM
SCHEMBL17019881 0.79 POLB (0.78) USP2MAPK1POLBTDP1BLM
SCHEMBL17019882 0.78 USP2 (0.58) USP2MAPK1POLBTDP1BLM
SCHEMBL12943849 0.78 USP2 (0.58) USP2MAPK1POLBTDP1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 USP2 3122/4885MAPK1 2482/4885POLB 2047/4885

“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.