Sugi Predict

Sugi Predict / Compounds / SCHEMBL849098

SCHEMBL849098

SCHEMBL849098

FC(F)(F)c1cccc2[c]ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.35
▸ NR1H2 P55055 5/20 0.35
▸ NR1H3 Q13133 5/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ GSK3A P49840 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ STK3 Q13188 1/20 0.33

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
SCHEMBL4465618 0.76 HTR1A (0.40) PARP1CYP1A2ALDH1A1PSMD14COPS5
SCHEMBL855198 0.76 PARP1 (0.33) PARP1SLC40A1MEN1KMT2AALDH1A1
SCHEMBL27167448 0.72 SMN1; SMN2 (0.33) MEN1KMT2ACYP1A2CYP3A4MAPK1
SCHEMBL8467497 0.72 METAP2 (0.48) NCF1KMT2ATSHRALDH1A1
SCHEMBL3896844 0.72 NR4A2 (0.43) PARP1TAAR1SLC40A1GSK3AGSK3B
SCHEMBL5747832 0.71 GABRA1 (0.36) TAAR1SLC40A1TDP1
SCHEMBL942952 0.71 HTR1A (0.44) MEN1KMT2ACYP3A4ALOX15HSD17B10
SCHEMBL857552 0.71 PARP1 (0.38) NCF1PARP1TAAR1NR1H2NR1H3
SCHEMBL1501813 0.70 ALDH1A1 (0.35) PARP1GSK3AGSK3BAURKAPRKX
SCHEMBL944682 0.70 ALDH1A1 (0.35) PARP1MEN1KMT2AESR1CYP3A4

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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536195-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 — — US claimed
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — US claimed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 — — US claimed
US-8314125-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 — — US claimed
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US claimed
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 — — EP claimed
EP-1934191-B1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-28 — — EP claimed
EP-1888558-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2011-10-05 — — EP claimed
US-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 — — US claimed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US claimed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 — — US claimed
WO-2007047474-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-26 — — WO claimed
WO-2006133459-A1 INDANE DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-12-14 — — WO claimed
WO-2006124744-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-23 — — WO claimed
WO-2006122014-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 — — WO claimed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 — — EP claimed
JP-2004527499-A — — 2004-09-09 — — JP claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 — — US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 — — WO claimed
US-4259335-A 1-Methyl-4-piperidinol esters of 4-quinolinylamino benzoates and antiinflammatory and analgesic compositions and methods employing them SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-03-31 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels KCNJ2, TRPV1, KCNN3 NCF1 3441/4885PARP1 3082/4885TAAR1 2309/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D NCF1 3055/4885PARP1 4145/4885TAAR1 1875/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NCF1 2472/4885PARP1 758/4885TAAR1 579/4885
US-20070117801-A1 Indane derivatives as modulator of ion channels KCNJ2, TRPV1, KCNJ1 NCF1 3414/4885PARP1 4243/4885TAAR1 1394/4885

“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.