SCHEMBL10070929

SCHEMBL10070929

Nc1ccc2c(c1)C1c3ccc(N)cc3C2c2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
CASP1 P29466 3/20 0.47
RECQL P46063 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
CDK5 Q00535 2/20 0.38
KDR P35968 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL18682060 1.00 CYP3A4 (0.47) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL23567922 0.92 CYP3A4 (0.48) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL807465 0.92 CYP3A4 (0.48) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL29549133 0.92 CYP3A4 (0.48) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL29636243 0.92 CYP3A4 (0.48) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL17789217 0.85 ACHE (0.46) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL17678877 0.83 ALDH1A1 (0.54) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL29457161 0.80 CYP3A4 (0.37) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL19307997 0.80 ACHE (0.42) CYP3A4CASP1RECQLCHRNB2CHRNA4
SCHEMBL807463 0.75 CHRNB2 (0.39) CYP3A4CASP1RECQLCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115852512-A Polyimide fiber and preparation method thereof 江苏先诺新材料科技有限公司 2023-03-28 CN claimed
US-11742152-B2 Organic triptycene-based molecules having one or more arylene diimide groups attached forming a crosslinked framework useful for lithium ion battery electrodes THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-08-29 US disclosed
WO-2023068656-A1 SECONDARY BATTERY INCLUDING POUCH WITH GAS ADSORBENT INTERPOSED THEREIN AND METHOD FOR MANUFACTURING SAME 주식회사 엘지에너지솔루션 2023-04-27 WO disclosed
CN-115852512-A Polyimide fiber and preparation method thereof 江苏先诺新材料科技有限公司 2023-03-28 CN disclosed
US-20210167388-A1 ORGANIC TRIPTYCENE-BASED MOLECULES HAVING ONE OR MORE ARYLENE DIIMIDE GROUPS ATTACHED FORMING A CROSSLINKED FRAMEWORK USEFUL FOR LITHIUM ION BATTERY ELECTRODES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2021-06-03 US disclosed
EP-2616493-B1 POLYMERISATION METHOD UNIV COURT UNIV OF EDINBURGH (GB) 2020-07-01 EP disclosed
EP-3411080-A2 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES Arrakis Therapeutics, Inc. (US) 2018-12-12 EP disclosed
US-9840514-B2 Dianhydrides, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-12-12 US disclosed
WO-2017136450-A2 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES ARRAKIS THERAPEUTICS, INC. (US) 2017-08-10 WO disclosed
US-9458376-B2 Electrochromic iptycenes POLISHAK BRENT M (US) 2016-10-04 US disclosed
US-9458376-B2 Electrochromic iptycenes POLISHAK BRENT M (US) 2016-10-04 US disclosed
US-20160152630-A1 DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2016-06-02 US disclosed
US-20160137914-A1 ELECTROCHROMIC IPTYCENES POLISHAK BRENT M (US) 2016-05-19 US disclosed
US-20160137914-A1 ELECTROCHROMIC IPTYCENES POLISHAK BRENT M (US) 2016-05-19 US disclosed
US-9018270-B2 Method for producing polymers comprising multiple repeat units of bicyclic diamines UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2015-04-28 US disclosed
WO-2015001422-A2 DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2015-01-08 WO disclosed
US-20130267616-A1 Polymerisation Method UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-10 US disclosed
US-20130267616-A1 Polymerisation Method UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-10 US disclosed
WO-2012035327-A1 POLYMERISATION METHOD UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-22 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 (2 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-20160152630-A1 DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, ALK, DDC CYP3A4 2346/4885CASP1 3228/4885RECQL 1389/4885
US-20160137914-A1 ELECTROCHROMIC IPTYCENES IDH3A, EYA2, IDH2 CYP3A4 1929/4885CASP1 4447/4885RECQL 3650/4885

“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.