SCHEMBL9956934

SCHEMBL9956934

CC(=O)c1cnc(N)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 4/20 0.51
RAB9A P51151 3/20 0.51
HSP90AA1 P07900 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 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
SCHEMBL14757636 0.83 NNMT (0.46) HSP90AA1KDM4EKMT2AHPGDGABRP
SCHEMBL27415510 0.83 HSP90AA1 (0.41) SMN1; SMN2POLBRAB9AHSP90AA1KDM4E
SCHEMBL1540141 0.83 HPGD (0.59) SMN1; SMN2POLBRAB9AHSP90AA1KDM4E
SCHEMBL14667043 0.83 HSP90AA1 (0.41) SMN1; SMN2POLBRAB9AHSP90AA1LMNA
SCHEMBL14595537 0.82 HSP90AA1 (0.41) SMN1; SMN2POLBRAB9AHSP90AA1LMNA
SCHEMBL28101570 0.82 HSP90AA1 (0.41) SMN1; SMN2POLBRAB9AHSP90AA1KDM4E
SCHEMBL11721563 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9ALMNAL3MBTL1
SCHEMBL5320813 0.79 P2RX7 (0.50) SMN1; SMN2POLBHSP90AA1KDM4EALDH1A1
SCHEMBL27910169 0.79 HDAC6 (0.53) RAB9AHSP90AA1KDM4EKMT2AHPGD
SCHEMBL15354443 0.79 JUN (0.45) RAB9AHSP90AA1KDM4EKMT2AHPGD

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-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
CN-103270026-A Biheteroaryl compounds as VPS34 inhibitors NOVARTIS AG 2013-08-28 CN disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 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 (2 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A SMN1; SMN2 2271/4885POLB 1156/4885RAB9A 58/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A SMN1; SMN2 2189/4885POLB 1165/4885RAB9A 54/4885

“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.