SCHEMBL714379

SCHEMBL714379

O=C(O)c1ccccc1CNc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.61
NR2F2 P24468 3/20 0.61
RAB9A P51151 3/20 0.61
GALR3 O60755 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
TSHR P16473 1/20 0.59
AURKA O14965 8/20 0.52
RPS6KB1 P23443 7/20 0.52
AURKB Q96GD4 2/20 0.52
APP P05067 1/20 0.51
HIF1A Q16665 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL9386452 0.80 NR2F2 (0.64) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL1863835 0.77 POLB (0.57) RAB9ASMN1; SMN2LMNAMAPK1HIF1A
SCHEMBL15347754 0.77 LMNA (0.65) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL29386010 0.76 EGFR (1.00) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL7612718 0.76 EGFR (1.00) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL712360 0.76 KMT2A (0.58) EGFRSMN1; SMN2HTTLMNAMAPK1
SCHEMBL20120009 0.75 AURKA (0.46) SMN1; SMN2HTTLMNAMAPK1TSHR
Hydrochloric Acid SCHEMBL8178476 0.75 LMNA (1.00) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL13283188 0.74 L3MBTL1 (0.65) EGFRNR2F2RAB9AGALR3SMN1; SMN2
SCHEMBL9430904 0.74 EGFR (0.68) EGFRNR2F2RAB9AGALR3SMN1; SMN2

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
US-8609672-B2 Piperazinylpyrimidine analogues as protein kinase inhibitors UNIVERSITY OF THE PACIFIC (US) 2013-12-17 US disclosed
US-20120053183-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS UNIVERSITY OF THE PACIFIC (US) 2012-03-01 US disclosed
WO-2012027495-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS UNIVERSITY OF THE PACIFIC (US) 2012-03-01 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 (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-20120053183-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS DCK, PAK5, CDK2 EGFR 928/4885NR2F2 2703/4885RAB9A 2724/4885

“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.