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SCHEMBL1013174

SCHEMBL1013174

COCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ S1PR4 O95977 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ P2RX1 P51575 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37

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
SCHEMBL15720154 0.96 ALDH1A1 (0.42) LMNAGAAS1PR4CHRNB2CHRNA4
SCHEMBL1603675 0.87 LMNA (0.49) LMNAGAAS1PR4CHRNB2CHRNA4
SCHEMBL1264295 0.84 ALDH1A1 (0.41) LMNAGAAS1PR4CHRNB2CHRNA4
SCHEMBL3155181 0.84 ALDH1A1 (0.39) LMNAGAACHRNB2CHRNA4MAPT
SCHEMBL14279323 0.84 MAPT (0.38) LMNAGAAS1PR4CHRNB2CHRNA4
SCHEMBL806101 0.83 CHRNB2 (0.59) LMNAGAACHRNB2CHRNA4MAPT
SCHEMBL13400004 0.83 ALDH1A1 (0.42) LMNAGAAMAPTP2RX1SMN1; SMN2
SCHEMBL4829990 0.83 MAPT (0.38) LMNAGAAS1PR4CHRNB2CHRNA4
SCHEMBL12398631 0.82 CHRNB2 (0.51) CHRNB2CHRNA4MAPTSMN1; SMN2CYP3A4
SCHEMBL444951 0.82 LMNA (0.45) LMNAGAAMAPTP2RX1SMN1; 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
CN-101023071-A New heterocyclic amides ASTRAZENECA AB (SE) 2007-08-22 — — CN claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 — — EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 — — WO claimed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 — — US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 — — EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 — — US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 — — US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 — — EP disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 — — CN disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 — — US disclosed
CN-102026985-B Quinazoline derivatives as RAF kinase modulators and methods and uses thereof 埃姆比特生物科学公司 2016-07-06 — — CN disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 — — US disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 — — CN disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 — — EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 — — WO disclosed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
CN-101023071-A New heterocyclic amides ASTRAZENECA AB (SE) 2007-08-22 — — CN disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 — — EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 — — 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 (5 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF LMNA 2716/4885GAA 2536/4885S1PR4 1308/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LMNA 3490/4885GAA 2627/4885S1PR4 1186/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LMNA 2716/4885GAA 2536/4885S1PR4 1308/4885
US-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 LMNA 2368/4885GAA 548/4885S1PR4 1872/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF LMNA 2716/4885GAA 2536/4885S1PR4 1308/4885

“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.