SCHEMBL22552552

SCHEMBL22552552

CC(c1cncc2cccnc12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.37
▸ CCR8 P51685 4/20 0.37
▸ CCR5 P51681 3/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ THPO P40225 1/20 0.37

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
SCHEMBL29875371 1.00 CCR1 (0.37) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL15472197 0.82 CCR1 (0.43) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL29874834 0.82 CCR1 (0.43) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL27317559 0.75 CCR1 (0.37) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL27317244 0.75 CCR1 (0.37) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL27317555 0.75 CCR1 (0.37) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL5135302 0.69 SMN1; SMN2 (0.49) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL26119328 0.69 KDM4E (0.37) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL10134475 0.69 CCR1 (0.52) CCR1CCR8CCR5HSP90AA1LMNA
SCHEMBL13765833 0.68 CCR1 (0.43) CCR1CCR8CCR5HSP90AA1LMNA

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-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 — — US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 — — US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 — — 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 (3 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD CCR1 3862/4885CCR8 4578/4885CCR5 4444/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD CCR1 3862/4885CCR8 4578/4885CCR5 4444/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD CCR1 3862/4885CCR8 4578/4885CCR5 4444/4885

“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.

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