SCHEMBL1613330

SCHEMBL1613330

COc1cc(Br)cc2c1c(C=O)cn2-c1nc(N)ncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.32
▸ P2RX3 P56373 3/20 0.31
▸ P2RX2 Q9UBL9 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL13575034 0.88 ALDH1A1 (0.33) ALDH1A1GAAP2RX3P2RX2KDM4E
SCHEMBL1612242 0.82 MAPT (0.36) JAK2JAK1TYK2KDRJAK3
SCHEMBL1613738 0.75 TTBK1 (0.39) PDE10AP2RX3P2RX2MAPT
SCHEMBL13575032 0.69 JAK2 (0.34) ALDH1A1P2RX3P2RX2CYP2C19TSHR
SCHEMBL1613540 0.67 NPC1 (0.36) ALDH1A1PDE10AP2RX3P2RX2TSHR
SCHEMBL13575104 0.62 TTBK1 (0.39) P2RX3P2RX2
SCHEMBL1319876 0.60 ERN1 (0.64) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL31128572 0.60 ERN1 (0.64) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL13736042 0.60 NUDT1 (0.39) ALDH1A1P2RX3P2RX2CYP1A2KDM4E
SCHEMBL35210914 0.59 ALDH1A1 (0.46) ERN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 ERN1 365/4885ALDH1A1 1373/4885GAA 1852/4885

“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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