SCHEMBL690103

SCHEMBL690103

COc1c(N)cc(C(C)(C)C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR1D P28221 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RARG P13631 1/20 0.33
RXRA P19793 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
Hydrochloric Acid SCHEMBL11874645 0.98 POLB (0.48) POLBMAPTGAAALDH1A1PKM
SCHEMBL12705247 0.89 POLB (0.50) POLBMAPTGAAALDH1A1PKM
SCHEMBL12706039 0.87 RARG (0.39) POLBMAPTGAAALDH1A1PKM
SCHEMBL4948888 0.86 CA2 (0.41) POLBMAPTGAAALDH1A1PKM
SCHEMBL1601132 0.86 GAA (0.38) POLBMAPTGAAALDH1A1PKM
SCHEMBL17653048 0.86 POLB (0.38) POLBMAPTGAAALDH1A1PKM
SCHEMBL13843665 0.82 POLB (0.39) POLBMAPTGAAALDH1A1PKM
SCHEMBL14612535 0.82 POLB (0.35) POLBMAPTGAAALDH1A1PKM
SCHEMBL10233040 0.82 MAPT (0.39) POLBMAPTGAAALDH1A1PKM
SCHEMBL1600641 0.82 L3MBTL1 (0.37) POLBMAPTGAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-3932538-A Process for producing pyrogallol and derivatives thereof MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JA) 1976-01-13 US claimed
EP-3245557-B1 ELECTROCHROMIC MULTI-LAYER DEVICES WITH CHARGE SEQUESTRATION AND RELATED METHODS KINESTRAL TECH INC (US) 2021-12-15 EP disclosed
EP-2981535-B1 UREA DERIVATIVES USEFUL AS KINASE INHIBITORS TOPIVERT PHARMA LTD (GB) 2020-12-16 EP disclosed
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10698286-B2 Electrochromic multi-layer devices with charge sequestration and related methods KINESTRAL TECHNOLOGIES, INC. (US) 2020-06-30 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-10435361-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-08 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
WO-2005099024-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-20 WO disclosed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 1445/4885MAPT 4269/4885GAA 454/4885
US-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A POLB 3602/4885MAPT 3744/4885GAA 1594/4885
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 POLB 2776/4885MAPT 2764/4885GAA 79/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 1445/4885MAPT 4269/4885GAA 454/4885
US-10435361-B2 Kinase inhibitors SYK, LYN, BTK POLB 3321/4885MAPT 3802/4885GAA 2984/4885

“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.