SCHEMBL13801591

SCHEMBL13801591

Cc1ccnc(-c2ccccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
KDM1A O60341 6/20 0.53
CYP2A6 P11509 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.46
ALOX15 P16050 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL987521 0.82 CCR1 (0.61) CCR1CCR5CCR8CYP2A6RAB9A
SCHEMBL15476086 0.81 CCR1 (0.59) CCR1CCR5CCR8KDM1ACYP2A6
SCHEMBL12390293 0.79 KDM1A (0.51) CCR1CCR5CCR8KDM1AHDAC1
SCHEMBL21913721 0.79 CCR1 (0.57) CCR1CCR5CCR8KDM1ACYP2A6
SCHEMBL4509227 0.79 CCR1 (0.57) CCR1CCR5CCR8CYP2A6RAB9A
SCHEMBL12303171 0.79 CCR1 (0.57) CCR1CCR5CCR8CYP2A6RAB9A
SCHEMBL5903098 0.79 CCR1 (0.57) CCR1CCR5CCR8CYP2A6MAOA
SCHEMBL23599062 0.79 KDM1A (0.48) KDM1AHDAC1HDAC2HDAC6MAOA
SCHEMBL25256386 0.79 KDM1A (0.51) KDM1AHDAC1HDAC2HDAC6MAOA
SCHEMBL15655681 0.78 CCR1 (0.55) CCR1CCR5CCR8KDM1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R CCR1 1717/4885CCR5 3219/4885CCR8 1180/4885

“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.