SCHEMBL7960340

SCHEMBL7960340

NN1c2c(Cc3ccccc3)nc(NCCO)nc2C(Cc2ccccc2)=NC1NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
FYN P06241 1/20 0.37
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
SGK1 O00141 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
CDK1 P06493 5/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7947642 0.69 MPO (0.47) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7960375 0.69 KDM4E (0.36) ALDH1A1KDM4EHPGDGLASMN1; SMN2
SCHEMBL4932531 0.67 LTB4R (0.51) ALDH1A1KDM4EGAARECQLMCL1
SCHEMBL2060224 0.62 ADORA2A (0.50) ALDH1A1KDM4EGAACDK1MAPK1
SCHEMBL27686623 0.61 CDK1 (0.47) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2060290 0.60 ADORA2A (0.65) ALDH1A1KDM4EGAACDK1MAPK1
SCHEMBL2060202 0.59 ADORA2A (0.63) ALDH1A1KDM4EGAACDK1MAPK1
SCHEMBL24038284 0.57 APP (0.70) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL8410920 0.56 NPSR1 (0.68) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL27393423 0.56 RECQL (0.84) RECQLMCL1SMN1; SMN2CDK5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US claimed
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 US disclosed
WO-2021077070-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY (US) 2021-04-22 WO disclosed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 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-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES SLC29A1, SLC29A2, SLC7A1 ALDH1A1 2004/4885KDM4E 2898/4885GAA 1261/4885

“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.