SCHEMBL715005

SCHEMBL715005

O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.53
ABCC1 P33527 2/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SIRT5 Q9NXA8 1/20 0.53
PDE4B Q07343 1/20 0.52
SLC6A7 Q99884 2/20 0.50
PDE5A O76074 2/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ABCB1 P08183 1/20 0.48
GAA P10253 1/20 0.47
TNKS O95271 1/20 0.47
PIK3CG P48736 1/20 0.47
PRKAA2 P54646 1/20 0.47
TSHR P16473 1/20 0.47
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL713933 0.91 MEN1 (0.55) ABCG2MEN1KMT2APDE4BSLC6A7
SCHEMBL713670 0.89 SLC6A7 (0.54) MEN1KMT2ASLC6A7PDE5AALDH1A1
SCHEMBL713524 0.88 KIT (0.57) ABCG2MEN1KMT2ASLC6A7ALDH1A1
SCHEMBL715544 0.80 SLC6A7 (0.52) MEN1KMT2ASLC6A7PDE5AALDH1A1
SCHEMBL711881 0.78 KIT (0.54) ABCG2SLC6A7ALDH1A1KDM4EMAPT
SCHEMBL713528 0.78 KIT (0.56) SLC6A7PDE5ATSHRKITPDGFRA
SCHEMBL715211 0.78 RAB9A (0.55) ABCG2MEN1KMT2ASLC6A7ALDH1A1
SCHEMBL715017 0.76 KIT (0.69) ABCG2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15253688 0.73 SLC6A7 (0.49) MEN1KMT2ASLC6A7ALDH1A1KDM4E
SCHEMBL10061589 0.73 KIT (0.54) SLC6A7PDE5ATSHRKITPDGFRA

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 2 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

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 ABCG2 2480/4885ABCC1 2341/4885MEN1 3873/4885

“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.