SCHEMBL2844843

SCHEMBL2844843

O=C(O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(O)c2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.51
BRD4 O60885 1/20 0.51
SYK P43405 3/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRLHR P49683 5/20 0.38
TRPV1 Q8NER1 1/20 0.38
PDGFRB P09619 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2449701 0.92 CREBBP (0.49) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2449067 0.91 CREBBP (0.61) CREBBPBRD4SYKJAK3
SCHEMBL2451416 0.87 MAPT (0.51) CREBBPBRD4PRLHR
SCHEMBL2449074 0.84 BRD4 (0.41) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2449206 0.83 CREBBP (0.47) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2452090 0.83 CREBBP (0.45) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2453164 0.81 CREBBP (0.44) CREBBPBRD4SYKJAK3PRLHR
SCHEMBL2453169 0.81 CREBBP (0.44) CREBBPBRD4SYKJAK3TRPV1
SCHEMBL2450149 0.81 CREBBP (0.43) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2448498 0.80 CYP3A4 (0.39) CREBBPBRD4NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 CREBBP 646/4885BRD4 1537/4885SYK 641/4885

“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.