SCHEMBL3675768

SCHEMBL3675768

O=C1c2nc(N3CCOCC3)nc(NC(c3ccccc3)c3ccccc3)c2CN1C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.69
TACR2 P21452 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.41
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDH1 O75874 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
SCHEMBL3639126 0.98 P2RX3 (0.69) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3668653 0.96 P2RX3 (0.71) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3643653 0.95 P2RX3 (0.70) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3639532 0.82 P2RX3 (1.00) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3638517 0.80 P2RX3 (0.54) P2RX3KDM4EALDH1A1GAAGLA
SCHEMBL3636444 0.79 P2RX3 (0.75) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL4223784 0.79 P2RX3 (0.72) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3639128 0.79 P2RX3 (0.69) P2RX3TACR2KDM4EALDH1A1GAA
SCHEMBL3640214 0.78 TACR2 (0.67) P2RX3TACR2KDM4EALDH1A1
SCHEMBL3638519 0.78 P2RX3 (0.67) P2RX3TACR2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 P2RX3 53/4885TACR2 158/4885KDM4E 2693/4885

“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.