SCHEMBL22207396

SCHEMBL22207396

COc1ncc(F)c(N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ CD274 Q9NZQ7 4/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ CCR4 P51679 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PIK3CD O00329 1/20 0.31

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
SCHEMBL17681856 0.80 MAPT (0.37) PIK3CAMAPTCASP1AURKATTK
SCHEMBL29687317 0.80 MAPT (0.37) PIK3CAMAPTCASP1AURKATTK
SCHEMBL22224634 0.78 HTT (0.37) PIK3CAMAPTCASP1AURKATTK
SCHEMBL23743787 0.78 PIK3CA (0.34) PIK3CAAURKACD274PDCD1LG2MAP2K1
SCHEMBL22207280 0.77 PIK3CA (0.36) PIK3CAMAPTCASP1AURKATTK
SCHEMBL23723765 0.77 AURKA (0.33) PIK3CAAURKACD274PDCD1LG2MAP2K1
SCHEMBL22412980 0.74 MAPT (0.42) PIK3CAMAPTCASP1AURKATTK
SCHEMBL29863460 0.74 MAPT (0.42) PIK3CAMAPTCASP1AURKATTK
SCHEMBL21246893 0.73 AURKA (0.38) PIK3CAMAPTCASP1AURKATTK
SCHEMBL20702438 0.69 MAPT (0.35) MAPTCASP1AURKATTKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 — — EP disclosed
US-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-24 — — US disclosed
EP-3908579-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-11-17 — — EP disclosed
CN-113574054-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2021-10-29 — — CN disclosed
WO-2020144638-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-07-16 — — 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-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD PIK3CA 2084/4885MAPT 2619/4885CASP1 3947/4885

“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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