SCHEMBL18781448

SCHEMBL18781448

COc1cc(OC)c(Br)c(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12586562 0.85 ACHE (0.50) MAPTNPSR1ACHECA2CA4
SCHEMBL16071615 0.84 MAPT (0.36) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL16071676 0.83 MAPT (0.43) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL13159993 0.82 ENPP2 (0.42) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL17388711 0.79 CA2 (0.50) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL12552998 0.79 ACHE (0.43) MAPTNPSR1POLBACHECA2
SCHEMBL28018207 0.78 CA2 (0.53) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL12258796 0.78 ACHE (0.59) MAPTNPSR1POLBL3MBTL1ACHE
SCHEMBL8272803 0.76 CYP3A4 (0.46) MAPTPOLBACHECA2CA1
SCHEMBL755549 0.76 ACHE (0.42) MAPTNPSR1POLBL3MBTL1ACHE

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-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. 2017-09-14 — — US disclosed
WO-2017070708-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. (US) 2017-04-27 — — 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-20170260168-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES FGFR1, FGFR2, FGFR3 MAPT 3292/4885NPSR1 1347/4885POLB 4176/4885

“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.

Send feedback