SCHEMBL12812402

SCHEMBL12812402

Fc1cccc(F)c1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.52
▸ PIM3 Q86V86 2/20 0.52
▸ PIM2 Q9P1W9 2/20 0.52
▸ MAPT P10636 3/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PIK3CA P42336 3/20 0.48
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPY5R Q15761 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL27865701 0.89 MAP4K1 (0.52) PIM1PIM3PIM2MAPTNFKB1
SCHEMBL1443245 0.86 CNR2 (0.49) PIM1PIM3PIM2MAPTNFKB1
SCHEMBL1442356 0.86 MAPT (0.52) PIM1PIM3PIM2MAPTNFKB1
SCHEMBL12812435 0.85 PIK3CA (0.56) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL1442287 0.85 PTPN11 (0.47) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL1442748 0.84 PIK3CA (0.53) PIM1MAPTNFKB1NFKB2RELA
SCHEMBL1442237 0.83 PIK3CA (0.61) PIM1MAPTNFKB1NFKB2RELA
SCHEMBL27865655 0.82 MAPT (0.44) PIM1PIM3PIM2MAPTNFKB1
SCHEMBL12812399 0.82 NPC1 (0.50) PIM1MAPTNFKB1NFKB2RELA
SCHEMBL1442788 0.82 PIK3CA (0.55) MAPTNFKB1NFKB2RELASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 PIM1 562/4885PIM3 654/4885PIM2 570/4885

“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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