SCHEMBL6257885

SCHEMBL6257885

COc1nc(OC)c(F)c(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ METAP2 P50579 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL6257568 0.78 TSHR (0.34) HSD17B10CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL12599917 0.72 HSP90AA1 (0.32) —
SCHEMBL8000735 0.71 — —
SCHEMBL18290655 0.68 CYP1A2 (0.33) CYP1A2METAP2LMNAMAPTMAPK1
SCHEMBL16123448 0.68 HSD17B10 (0.33) HSD17B10LMNAMAPTMAPK1TSHR
SCHEMBL4271009 0.63 CYP1A2 (0.40) CYP1A2CYP2C19LMNAMAPTTSHR
SCHEMBL9615152 0.63 AURKA (0.49) CYP1A2METAP2
SCHEMBL10203629 0.63 HTT (0.36) HSD17B10CYP1A2CYP2C9CYP2C19METAP2
SCHEMBL24344234 0.61 CYP1A2 (0.39) CYP1A2MAPTTSHR
SCHEMBL2725593 0.61 TSHR (0.42) CYP1A2MAPTTSHR

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
WO-2005019207-A1 FUNGICIDAL PYRIMIDINE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2005-03-03 — — WO disclosed
US-20050038041-A1 Fungicidal pyrimidine derivatives NIPPON SODA CO., LTD. (JP) 2005-02-17 — — US disclosed
US-6818631-B1 4-FLUOROALKYL SUBSTITUENT; AGRICULTURE, HORTICULTURE; PLANT DISEASE CONTROL NIPPON SODA CO. LTD. (JP) 2004-11-16 — — 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-20050038041-A1 Fungicidal pyrimidine derivatives CBR3, CBR1, TH HSD17B10 4043/4885CYP1A2 33/4885CYP2C9 24/4885

“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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