SCHEMBL16344732

SCHEMBL16344732

COC(=O)c1cccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.43
PDE5A O76074 1/20 0.43
CASR P41180 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.42
PPIA P62937 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL15135705 0.85 LMNA (0.42) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL16344790 0.85 MAPT (0.50) MAPTALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL15135706 0.85 LMNA (0.42) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL15135764 0.82 PRMT1 (0.51) MAPTLMNA
SCHEMBL15143867 0.80 ALDH1A1 (0.40) MAPTALDH1A1LMNAADORA2AMEN1
SCHEMBL15156343 0.79 LMNA (0.43) MAPTALDH1A1MAPK1KDM4ELMNA
SCHEMBL15156341 0.79 LMNA (0.43) MAPTALDH1A1MAPK1KDM4ELMNA
SCHEMBL15136115 0.79 LMNA (0.44) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL15156135 0.78 EGFR (0.40) MAPTALDH1A1LMNA
SCHEMBL15156138 0.78 EGFR (0.40) MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144451-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC 2019-05-16 US disclosed
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 US disclosed
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 US disclosed
US-9637487-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-05-02 US disclosed
US-9637487-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-05-02 US disclosed
US-20160168149-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC 2016-06-16 US disclosed
US-20160168149-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC 2016-06-16 US disclosed
EP-3016953-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, LLC (US) 2016-05-11 EP disclosed
WO-2015002894-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2015-01-08 WO disclosed
WO-2015002894-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2015-01-08 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-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 MAPT 4542/4885ALDH1A1 3729/4885MAPK1 868/4885
US-20190144451-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 MAPT 4542/4885ALDH1A1 3729/4885MAPK1 868/4885
US-20160168149-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 MAPT 4542/4885ALDH1A1 3729/4885MAPK1 868/4885

“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.