SCHEMBL2850690

SCHEMBL2850690

O=C(O)N1CCc2c(nc(Nc3ccc(-c4cnco4)cc3)nc2NCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.45
BRD4 O60885 1/20 0.45
STAT6 P42226 7/20 0.41
SYK P43405 2/20 0.41
IMPDH2 P12268 1/20 0.40
ROCK2 O75116 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
PORCN Q9H237 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2449206 0.93 CREBBP (0.47) CREBBPBRD4STAT6SYKIMPDH2
SCHEMBL2847567 0.89 MAPT (0.43) CREBBPBRD4IMPDH2ROCK2TRPV1
SCHEMBL2449701 0.83 CREBBP (0.49) CREBBPBRD4SYKIMPDH2ROCK2
SCHEMBL2447065 0.83 MAPT (0.45) CREBBPBRD4IMPDH2ROCK2TRPV1
SCHEMBL2450806 0.80 USP1 (0.47) STAT6SYKIMPDH2
SCHEMBL2447215 0.79 VCP (0.47) IMPDH2
SCHEMBL2844843 0.78 CREBBP (0.51) CREBBPBRD4SYKIMPDH2NPC1
SCHEMBL2453169 0.78 CREBBP (0.44) CREBBPBRD4SYKTRPV1
SCHEMBL2447109 0.77 TNK2 (0.46) CREBBPBRD4SYKNPC1KDM4E
SCHEMBL2846204 0.77 CREBBP (0.43) CREBBPBRD4SYKIMPDH2NPC1

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 1537/4885STAT6 3493/4885

“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.