SCHEMBL6009519

SCHEMBL6009519

CC(C)c1nc(N)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
BTK Q06187 1/20 0.31
PDPK1 O15530 1/20 0.31
GDA Q9Y2T3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
CCNE1 P24864 1/20 0.30

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
SCHEMBL11801311 0.88 ADORA2A (0.31) ADORA2AADORA1CDK1CCNB1CDK2
SCHEMBL6267281 0.86 USP2 (0.30) GDAALDH1A1
SCHEMBL7165315 0.83 CDK1 (0.31) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL6692346 0.83 BTK (0.31) BTK
SCHEMBL48130 0.81 CYP1A2 (0.35) GDA
SCHEMBL67129 0.80 CDK1 (0.31) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL17297733 0.80 HPGD (0.33) KDM4EALDH1A1KMT2A
SCHEMBL22215309 0.80 PDPK1 (0.33) PDPK1
SCHEMBL4364337 0.80 CDK1 (0.36) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL13269007 0.80 HTR2C (0.37) KDM4EALDH1A1GAAMAPTKMT2A

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
US-20240141360-A1 MODULATORS AND MODULATION OF THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS RNA MONASH UNIVERSITY (AU) 2024-05-02 US disclosed
CN-117916235-A Cyclin dependent kinase inhibitors 泰州亿腾景昂药业股份有限公司 2024-04-19 CN disclosed
WO-2023187176-A1 METHOD FOR DELIVERING A CARGO INTO CELL Trince bv (BE) 2023-10-05 WO disclosed
US-20230002790-A1 POLY(Beta-AMINO ESTER) NANOPARTICLES FOR THE NON-VIRAL DELIVERY OF PLASMID DNA FOR GENE EDITING AND RETINAL GENE THERAPY THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20150297598-A1 METHODS FOR TREATING RENAL DISEASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2015-10-22 US disclosed
US-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same OJIMA MASANORI 2006-01-05 US disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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 (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-20060004107-A1 Method for designing a pharmaceutical compound specific to a desired receptor, a designed compound thereby, and pharmaceutical compositions containing the same TBXA2R, PTAFR, PTGIR ADORA2A 118/4885ADORA1 87/4885CDK1 2084/4885
US-20150297598-A1 METHODS FOR TREATING RENAL DISEASE LDLR, APOL1, APOB ADORA2A 1781/4885ADORA1 3004/4885CDK1 4696/4885

“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.