SCHEMBL21291968

SCHEMBL21291968

CC(C)(C)OC(=O)O[C@H]1[C@H](F)[C@H](n2cnc3c(N)nc(Cl)nc32)O[C@@H]1CO

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64
NT5E P21589 16/20 0.55
CD99 P14209 1/20 0.55

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
SCHEMBL21291966 0.89 NT5E (0.59) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL30362448 0.89 ADORA2A (0.49) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL26490162 0.89 ADORA2A (0.49) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21291984 0.87 NT5E (0.54) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20305395 0.87 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20305394 0.87 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL30262559 0.87 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL19948197 0.87 NT5E (0.55) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL19948581 0.87 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL19948584 0.87 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701377-B2 Methods for treating cancers by prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2023-07-18 US disclosed
US-11701377-B2 Methods for treating cancers by prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2023-07-18 US disclosed
US-11701377-B2 Methods for treating cancers by prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2023-07-18 US disclosed
EP-3529254-B1 PRODRUGS OF CLOFARABINE WU LAURENCE I (TW) 2023-02-22 EP disclosed
US-20210244755-A1 METHODS FOR TREATING CANCERS BY PRODRUGS OF CLOFARABINE BoYen Therapeutics, Inc. (TW) 2021-08-12 US disclosed
US-20210244755-A1 METHODS FOR TREATING CANCERS BY PRODRUGS OF CLOFARABINE BoYen Therapeutics, Inc. (TW) 2021-08-12 US disclosed
US-11021510-B2 Prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2021-06-01 US disclosed
US-11021510-B2 Prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2021-06-01 US disclosed
US-20200095272-A1 PRODRUGS OF CLOFARABINE BoYen Therapeutics, Inc. (TW) 2020-03-26 US disclosed
US-20200095272-A1 PRODRUGS OF CLOFARABINE BoYen Therapeutics, Inc. (TW) 2020-03-26 US disclosed
EP-3529254-A1 PRODRUGS OF CLOFARABINE Wu, Laurence I. (TW) 2019-08-28 EP 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 (4 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-20200095272-A1 PRODRUGS OF CLOFARABINE CXCR2, FOLR1, ALK PDE2A 1749/4885ADORA3 298/4885ADORA2A 498/4885
US-11701377-B2 Methods for treating cancers by prodrugs of clofarabine FOLR1, DHFR, CBR1 PDE2A 2823/4885ADORA3 1292/4885ADORA2A 1266/4885
US-11021510-B2 Prodrugs of clofarabine ALK, BCL6, DHFR PDE2A 2534/4885ADORA3 1303/4885ADORA2A 1424/4885
US-20210244755-A1 METHODS FOR TREATING CANCERS BY PRODRUGS OF CLOFARABINE DHFR, FOLR1, ALK PDE2A 2927/4885ADORA3 1329/4885ADORA2A 1323/4885

“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.