SCHEMBL2942771

SCHEMBL2942771

CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
PTPN1 P18031 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
PARP15 Q460N3 2/20 0.53
PARP10 Q53GL7 2/20 0.53
PARP14 Q460N5 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FAAH O00519 7/20 0.49
SCN9A Q15858 1/20 0.49
SCN3A Q9NY46 1/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL31172257 0.87 PTPN1 (0.55) MAOBPTPN1PARP15PARP10PARP14
SCHEMBL2987817 0.82 RAB9A (0.74) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL25820980 0.80 MAPT (0.49) MEN1KMT2AMAPT
SCHEMBL3504251 0.79 FNTA (0.61) MAOBFNTAFNTBPARP15PARP10
SCHEMBL627043 0.78 ALDH1A1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31703470 0.78 MAOB (0.58) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL31396749 0.78 NAMPT (0.57) KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL16407911 0.78 KDM1A (0.59) MAOBPTPN1PARP15PARP10PARP14
SCHEMBL28682913 0.78 KDM1A (0.59) MAOBPTPN1PARP15PARP10PARP14
SCHEMBL28682914 0.78 KDM1A (0.59) MAOBPTPN1PARP15PARP10PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
EP-1684762-A4 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORP (US) 2009-06-17 EP disclosed
EP-1684762-A2 UREA DERIVATIVES AS KINASE MODULATORS Ambit Biosciences Corporation (US) 2006-08-02 EP disclosed
US-20050267182-A1 Urea derivatives as FLT-3 modulators AMBIT BIOSCIENCES CORPORATION 2005-12-01 US disclosed
US-20050197371-A1 Urea derivatives as PDGFR modulators AMBIT BIOSCIENCES CORPORATION 2005-09-08 US disclosed
US-20050192314-A1 Urea derivatives as C-kit modulators AMBIT BIOSCIENCES CORPORATION 2005-09-01 US disclosed
US-20050165024-A1 Urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
US-20050165031-A1 Urea derivatives as ABL modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
WO-2005048948-A2 UREA DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2005-06-02 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 (6 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-20050165024-A1 Urea derivatives as kinase modulators ULK2, ULK1, ULK3 MAOB 2772/4885PTPN1 1747/4885FNTA 1784/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAOB 3127/4885PTPN1 706/4885FNTA 597/4885
US-20050192314-A1 Urea derivatives as C-kit modulators KIT, PRKCH, PRKCE MAOB 1166/4885PTPN1 2552/4885FNTA 3320/4885
US-20050267182-A1 Urea derivatives as FLT-3 modulators FLT4, FLT1, FLT3 MAOB 2102/4885PTPN1 1560/4885FNTA 2720/4885
US-20050197371-A1 Urea derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA MAOB 3015/4885PTPN1 883/4885FNTA 1985/4885
US-20050165031-A1 Urea derivatives as ABL modulators ABL1, ABL2, BCR MAOB 3127/4885PTPN1 706/4885FNTA 597/4885

“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.