SCHEMBL1456687

SCHEMBL1456687

c1coc(CC2CCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL20599362 0.74 RAB9A (0.41) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL956707 0.73 RAB9A (0.43) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL30578309 0.73 POLB (0.46) POLBMAPTALDH1A1TSHRUTS2R
SCHEMBL1456686 0.71 ALDH1A1 (0.35) POLBALDH1A1TSHRHPGDRAB9A
SCHEMBL22443353 0.68 ALDH1A1 (0.38) POLBMAPTALDH1A1TSHRHPGD
SCHEMBL3818983 0.68 TNK2 (0.40) POLBMAPTALDH1A1TSHRUTS2R
SCHEMBL2752484 0.68 POLB (0.51) POLBMAPTALDH1A1TSHRHPGD
SCHEMBL1456197 0.68 ALOX15 (0.40) HTR2AHTR2CHTR2BPOLBMAPT
SCHEMBL32675261 0.67 LMNA (0.56) POLBMAPTALDH1A1TSHRHPGD
SCHEMBL15934085 0.66 HSD17B10 (0.38) POLBMAPTALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 US claimed
JP-2011526260-A 2011-10-06 JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 US claimed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 EP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 WO claimed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 US disclosed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 EP disclosed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 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-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI HTR2A 2877/4885HTR2C 2631/4885HTR2B 2671/4885

“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.