SCHEMBL855855

SCHEMBL855855

FC(F)(F)c1n[c]c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 2/20 0.44
TLR7 Q9NYK1 6/20 0.43
CCNE2 O96020 6/20 0.42
CCNE1 P24864 6/20 0.42
CDK2 P24941 6/20 0.42
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
ADORA2A P29274 1/20 0.41
KMT2A Q03164 2/20 0.40
SIRT5 Q9NXA8 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL23069196 0.73 ACP1 (0.36) MAPTALDH1A1RAB9AADORA2AKMT2A
SCHEMBL4340653 0.73 CYP1A2 (0.56) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4741666 0.71 MAOA (0.43) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL8515886 0.69 MAPT (0.36) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL9254586 0.69 MAPT (0.36) GAAMAPTALDH1A1RAB9AKMT2A
SCHEMBL857662 0.69 LMNA (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL5251836 0.69 DCPS (0.47) GAAMAPTALDH1A1RAB9AADORA2A
SCHEMBL23069165 0.69 SCN9A (0.30)
SCHEMBL23069184 0.67 NUDT1 (0.49) GAAMAPTALDH1A1RAB9AADORA2A
SCHEMBL856172 0.67 ABCG2 (0.43) MAPTRAB9AKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238643-B2 Amide compounds GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-19 US disclosed
EP-2558447-B1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-17 EP disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-8697869-B2 3-(heteroaryl-amino)-1,2,3,4-tetrahydro-9H-carbazole derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US disclosed
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 US disclosed
EP-2558447-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-02-20 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2011117798-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-29 WO disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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-20130245033-A1 AMIDE COMPOUNDS AR, AVPR2, H1-0 GAA 2400/4885MAPT 2279/4885ALDH1A1 654/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GAA 752/4885MAPT 1278/4885ALDH1A1 3395/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GAA 915/4885MAPT 1136/4885ALDH1A1 3533/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GAA 686/4885MAPT 1639/4885ALDH1A1 3049/4885
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGER1, PTGDR2 GAA 4545/4885MAPT 4739/4885ALDH1A1 925/4885

“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.