SCHEMBL6257568

SCHEMBL6257568

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ ENPP3 O14638 2/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL2725593 0.79 TSHR (0.42) TSHRCYP1A2ALDH1A1MAPT
SCHEMBL6257885 0.78 HSD17B10 (0.33) TSHRHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4660178 0.75 CA2 (0.42) TSHRENPP3ENPP1ALDH1A1
SCHEMBL23203437 0.73 TSHR (0.39) TSHRCYP1A2ALDH1A1MAPT
SCHEMBL4662679 0.72 ERN1 (0.32) ENPP3ENPP1ALDH1A1
SCHEMBL30941591 0.71 TSHR (0.57) TSHRCYP1A2ALDH1A1LMNA
SCHEMBL13485920 0.71 TSHR (0.57) TSHRCYP1A2ALDH1A1LMNA
SCHEMBL501178 0.69 CYP1A2 (0.50) TSHRCYP1A2ALDH1A1
SCHEMBL3381848 0.69 PDPK1 (0.34) ENPP3ENPP1CYP1A2CYP2C9CYP2C19
SCHEMBL18290655 0.67 CYP1A2 (0.33) CYP1A2METAP2LMNAMAPTMAPK1

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 TSHR 64/4885ENPP3 2016/4885ENPP1 2287/4885

“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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