SCHEMBL801938

SCHEMBL801938

CC(C)c1[nH]cc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.43
CCR8 P51685 4/20 0.43
CCR5 P51681 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
MMP2 P08253 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
HSP90AA1 P07900 2/20 0.43
GMNN O75496 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL19233633 0.75 CCR1 (0.48) CCR1CCR8CCR5LMNAMAPT
SCHEMBL801525 0.68 GPR84 (0.37) TSHRTDP1HTR2AHTR2CHTR2B
SCHEMBL34465845 0.68 CCR1 (0.61) CCR1CCR8CCR5LMNAMAPT
SCHEMBL12886671 0.68 CCR1 (0.61) CCR1CCR8CCR5LMNAMAPT
SCHEMBL15340427 0.68 NR4A2 (0.39) CCR1CCR8CCR5HSP90AA1SLC40A1
SCHEMBL31490195 0.67 PSMD14 (0.55) CCR1CCR8CCR5LMNAMAPT
SCHEMBL84502 0.67 PSMD14 (0.55) CCR1CCR8CCR5LMNAMAPT
SCHEMBL15070856 0.67 CCNB2 (0.39) CCR1CCR8CCR5LMNAMAPT
SCHEMBL15686690 0.67 PSMD14 (0.44) MAPTHSP90AA1PSMD14HTR2AHTR2C
SCHEMBL18673118 0.67 CCR1 (0.43) CCR1CCR8CCR5LMNAMAPT

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CCR1 2010/4885CCR8 2533/4885CCR5 2156/4885

“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.