SCHEMBL14801283

SCHEMBL14801283

Cn1cc(NC(NC(=O)O)NC(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
MAOA P21397 1/20 0.38
KDM1A O60341 2/20 0.37
SYK P43405 2/20 0.37
FSCN1 Q16658 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CREBBP Q92793 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL4730942 0.77 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL26124558 0.74 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL1497883 0.73 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL17108536 0.72 AXL (0.47) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL19557890 0.71 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL2625560 0.70 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL6971648 0.69 HTT (0.64) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL19699489 0.69 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL26120523 0.69 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL8832466 0.68 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ALDH1A1 2264/4885HTT 3691/4885SMN1; SMN2 2215/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ALDH1A1 2264/4885HTT 3691/4885SMN1; SMN2 2215/4885

“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.