SCHEMBL8225922

SCHEMBL8225922

N=C1OCCN1c1cccc(CN2Cc3c(NC(=O)c4ccc(Cl)s4)cncc3C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.55
KLKB1 P03952 1/20 0.37
ACKR3 P25106 1/20 0.35
DHPS P49366 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL1246033 0.96 F10 (0.52) F10KLKB1ACKR3
SCHEMBL8225992 0.91 F10 (0.61) F10KLKB1ACKR3DHPS
SCHEMBL1245688 0.88 F10 (0.46) F10KLKB1ACKR3
SCHEMBL3613837 0.88 F10 (0.58) F10KLKB1ACKR3
SCHEMBL8225168 0.85 F10 (0.51) F10KLKB1ACKR3DHPSCYP3A4
SCHEMBL8225326 0.85 F10 (0.51) F10KLKB1ACKR3CYP3A4CYP2C8
SCHEMBL4245786 0.84 F10 (0.41) F10DHPS
SCHEMBL1243692 0.83 F10 (0.65) F10ACKR3DHPS
SCHEMBL8230473 0.83 F10 (0.47) F10KLKB1ACKR3
SCHEMBL8220885 0.82 F10 (0.46) F10KLKB1ACKR3CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS F10 1315/4885KLKB1 1626/4885ACKR3 3819/4885

“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.