SCHEMBL356141

SCHEMBL356141

[c]1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.47
GRM2 Q14416 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
SLC9A1 P19634 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE6D O43924 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
CFTR P13569 1/20 0.40
RECQL P46063 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL944723 0.88 TDP1 (0.51) TNFGRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL1650533 0.86 RAB9A (0.48) GRM2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2541667 0.82 HTT (0.52) ALDH1A1LMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL1300677 0.82 MAPT (0.50) GRM2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL945956 0.80 TNF (0.50) TNFALDH1A1LMNAMEN1KMT2A
SCHEMBL7832090 0.77 L3MBTL1 (0.44) TNFCYP11B1CYP11B2LMNAMEN1
SCHEMBL1381878 0.77 SLC9A1 (0.44) SLC9A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2103982 0.77 POLB (0.39) GRM2SLC9A1ALDH1A1LMNAKMT2A
SCHEMBL11227007 0.77 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2122189 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; 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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477979-B1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS NITTO DENKO CORP (JP) 2016-10-26 EP claimed
EP-2477979-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS Nitto Denko Corporation (JP) 2012-07-25 EP claimed
CN-102596939-A Compounds for organic light emitting diode emissive layers NITTO DENKO CORP 2012-07-18 CN claimed
WO-2012012295-A1 PHOTOTHERAPY DEVICES AND METHODS COMPRISING SUBSTITUTED CARBAZOLE COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-26 WO claimed
US-20120016449-A1 PHOTOTHERAPY DEVICES AND METHODS COMPRISING SUBSTITUTED CARBAZOLE COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-19 US claimed
WO-2011034967-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS NITTO DENKO CORPORATION (JP) 2011-03-24 WO claimed
US-20110062386-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS NITTO DENKO CORPORATION (JP) 2011-03-17 US claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
CN-1017801-B 6- (substituted) hydroxymethyl penicillanic acids or 1, 1-dioxides and derivatives thereof PFIZER (US) 1992-08-12 CN claimed
CN-1017802-B METHOD FOR PREPARING 6-(SUBSTD.) HYDROXYMETHYL-PENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVS THEREOF PFIZER (US) 1992-08-12 CN claimed
CN-1015462-B METHOD FOR PREPARING 6-(SUBSTD.) METHYLENEPENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVATIVES THEREOF PFIZER (US) 1992-02-12 CN claimed
EP-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP claimed
CN-1046905-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penicillin alkanoic acid class and derivative thereof PFIZER (US) 1990-11-14 CN claimed
CN-1045788-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penicillin alkanoic acid class and derivative thereof PFIZER (US) 1990-10-03 CN claimed
CN-1045787-A The method for making of 6-(replacement) methylene radical penam acids, 6-(replacement) methylol penam acids and derivative thereof PFIZER (US) 1990-10-03 CN claimed
CN-1045789-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penam acids and derivative thereof PFIZER (US) 1990-10-03 CN claimed
US-4758568-A Quinoline therapeutic agents PFIZER INC. (US) 1988-07-19 US claimed
CN-85101572-A Process for producing 6- (substituted) methylenepenicillanic acids, 6- (substituted) hydroxymethylpenicillanic acids and derivatives thereof 1986-10-29 CN claimed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP 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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TNF 3583/4885GRM2 1319/4885CYP11B1 1403/4885
US-20120016449-A1 PHOTOTHERAPY DEVICES AND METHODS COMPRISING SUBSTITUTED CARBAZOLE COMPOUNDS TYR, PPOX, CRY1 TNF 2114/4885GRM2 2830/4885CYP11B1 39/4885
US-20110062386-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE EMISSIVE LAYERS ALOX12, ALOX15B, ALOX15 TNF 3362/4885GRM2 1468/4885CYP11B1 78/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 TNF 3802/4885GRM2 1546/4885CYP11B1 848/4885

“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.