SCHEMBL1507976

SCHEMBL1507976

CCCCN(c1ccc2cccc(N)c2n1)c1ccc2cccc(N)c2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.49
MCHR1 Q99705 5/20 0.41
TLR8 Q9NR97 2/20 0.40
HTR3A P46098 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL359691 0.82 METAP2 (0.47) DHFRTLR8TSHRKDM4EALDH1A1
SCHEMBL1507925 0.77 MCHR1 (0.40) MCHR1TLR8HTR3ATSHR
SCHEMBL1784500 0.76 DHFR (0.44) DHFRKDM4EALDH1A1
SCHEMBL1507775 0.76 PDE10A (0.46) DHFRALDH1A1
SCHEMBL15886634 0.76 NCF1 (0.56) DHFRTLR8
SCHEMBL28508426 0.73 KCNH2 (0.49) MCHR1TLR8HTR3A
SCHEMBL28123841 0.72 KCNH2 (0.56) DHFRMCHR1TLR8HTR3A
SCHEMBL12827741 0.69 METAP2 (0.46) TLR8TSHRKDM4EALDH1A1
SCHEMBL26053800 0.68 PARP1 (0.58) MCHR1TLR8HTR3AKDM4E
SCHEMBL230460 0.65 METAP2 (0.59) HTR3ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987016-B Crystal of compound N-butyl-2, 2' -imino-bis (8-quinolinamine), pharmaceutical composition and application thereof 广州威尔曼新药研发有限公司 2022-05-27 CN claimed
EP-1919894-B1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF PALUMED SA (FR) 2014-10-08 EP claimed
US-8324196-B2 Polyquinoline derivatives and the therapeutic use thereof PALUMED S.A. (FR) 2012-12-04 US claimed
US-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-11-01 US claimed
US-8247396-B2 Polyquinoline derivatives and therapeutic use thereof PALUMED S.A. (FR) 2012-08-21 US claimed
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2009-09-10 US claimed
CN-116598501-A Composite lithium-rich material, preparation method thereof, positive electrode and secondary battery 深圳市德方创域新能源科技有限公司 2023-08-15 CN disclosed
CN-107987016-B Crystal of compound N-butyl-2, 2' -imino-bis (8-quinolinamine), pharmaceutical composition and application thereof 广州威尔曼新药研发有限公司 2022-05-27 CN disclosed
CN-107987016-B Crystal of compound N-butyl-2, 2' -imino-bis (8-quinolinamine), pharmaceutical composition and application thereof 广州威尔曼新药研发有限公司 2022-05-27 CN disclosed
CN-107987016-B Crystal of compound N-butyl-2, 2' -imino-bis (8-quinolinamine), pharmaceutical composition and application thereof 广州威尔曼新药研发有限公司 2022-05-27 CN disclosed
WO-2018076245-A1 CRYSTAL OF BIS(8-QUINOLINAMINE) DERIVATIVES GUANGZHOU WELMAN NEW DRUG R&D CO., LTD. (CN) 2018-05-03 WO disclosed
EP-1919894-B1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF PALUMED SA (FR) 2014-10-08 EP disclosed
EP-1919894-B1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF PALUMED SA (FR) 2014-10-08 EP disclosed
US-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-11-01 US disclosed
US-8247396-B2 Polyquinoline derivatives and therapeutic use thereof PALUMED S.A. (FR) 2012-08-21 US disclosed
EP-2289891-A2 Novel polyquinoline derivates and the therapeutic use thereof Palumed S.A. (FR) 2011-03-02 EP disclosed
EP-2289891-A2 Novel polyquinoline derivates and the therapeutic use thereof Palumed S.A. (FR) 2011-03-02 EP disclosed
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2009-09-10 US disclosed
EP-1919894-A2 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF Palumed SA (FR) 2008-05-14 EP disclosed
WO-2007015017-A2 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2007-02-08 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-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF HTT, APP, PSEN1 DHFR 3469/4885MCHR1 3521/4885TLR8 4852/4885
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF HTT, UBQLN2, UBQLN1 DHFR 1426/4885MCHR1 3156/4885TLR8 4522/4885

“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.