SCHEMBL19604505

SCHEMBL19604505

O=C(O)CNc1cccc2c1OCCNC2=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
ACLY P53396 1/20 0.38
CDC25A P30304 1/20 0.35
FABP6 P51161 1/20 0.35
ACKR3 P25106 4/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL20880757 0.74
SCHEMBL19582388 0.73 ACKR3 (0.56) ACKR3
SCHEMBL2985573 0.73 PARP1 (0.54) PARP1ACLYFABP6PARP10PARP11
SCHEMBL19582537 0.71 ACKR3 (0.57) ACKR3
SCHEMBL21999476 0.70 PARP1 (0.54) PARP1FABP6PARP10PARP11ALDH1A1
SCHEMBL20880758 0.70 PARP1 (0.54) PARP1FABP6PARP10PARP11
SCHEMBL21333792 0.70 FABP6 (0.50) PARP1FABP6PARP10PARP11
SCHEMBL19604497 0.69 ALDH1A1 (0.43) PARP1CDC25AACKR3ALDH1A1
SCHEMBL11754066 0.68 ALDH1A1 (0.53) PARP1KDM4EALDH1A1HPGD
SCHEMBL2983974 0.67 ALPL (0.46) PARP1FABP6PARP10PARP11KDM4E

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
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 PARP1 3445/4885ACLY 3756/4885CDC25A 1350/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 PARP1 4170/4885ACLY 3729/4885CDC25A 1055/4885

“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.