SCHEMBL4584933

SCHEMBL4584933

CCCCc1ccc2ccc3cccnc3c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.60
CCR1 P32246 4/20 0.53
LMNA P02545 4/20 0.53
CCR5 P51681 3/20 0.53
CCR8 P51685 3/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MMP2 P08253 2/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MMP9 P14780 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL31026587 1.00 PDE10A (0.60) PDE10ACCR1LMNACCR5CCR8
SCHEMBL9528545 0.95 PDE10A (0.58) PDE10ACCR1LMNACCR5CCR8
SCHEMBL31026595 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
Hydrochloric Acid SCHEMBL28782888 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL27915486 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL31026567 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL28813000 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL10480813 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL27971229 0.94 PDE10A (0.57) PDE10ACCR1LMNACCR5CCR8
SCHEMBL30459407 0.86 CCR1 (0.54) PDE10ACCR1CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150125550-A1 APPLICATION OF 2,9-DI-SEC-BUTYL-1,10-PHENANTHROLINE AS A GLIOBLASTOMA TUMOR CHEMOTHERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-05-07 US claimed
US-11548792-B2 Water-soluble gold (III) complexes, methods of producing water-soluble gold (III) complexes and their use SZCZEPANIAK STANISLAW (PL) 2023-01-10 US disclosed
US-20150125550-A1 APPLICATION OF 2,9-DI-SEC-BUTYL-1,10-PHENANTHROLINE AS A GLIOBLASTOMA TUMOR CHEMOTHERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-05-07 US disclosed
CN-103052644-A Copper (I) complexes for optoelectronic devices CYNORA GMBH 2013-04-17 CN disclosed
US-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-08-28 US disclosed
US-6730788-B1 COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND UNIVERSITY OF NOTRE DAME 2004-05-04 US disclosed
EP-0227162-B1 COMPLEX-FORMING POLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-09-22 EP disclosed
US-4933455-A Lithiated bipyridyl compounds SHELL OIL COMPANY (US) 1990-06-12 US disclosed
EP-0341859-A1 Lithium ion-selective compositions, electrodes and a method of use EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-11-15 EP disclosed
EP-0339973-A1 Substituted 1,10-phenanthrolines EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-11-02 EP disclosed
WO-1989010366-A1 SUBSTITUTED 1,10-PHENANTHROLINES EASTMAN KODAK COMPANY (US) 1989-11-02 WO disclosed
US-4873212-A Nitrogen-containing bidentate compound immobilized on a solid inorganic carrier SHELL OIL COMPANY (US) 1989-10-10 US disclosed
US-4873333-A Nitrogen-containing bidentate compound immobilized on a solid inorganic carrier SHELL OIL COMPANY (US) 1989-10-10 US disclosed
EP-0227162-A2 Complex-forming polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-01 EP 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-20080206890-A1 BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF TTI1, TTI2, TCOF1 PDE10A 4176/4885CCR1 2095/4885LMNA 2087/4885
US-20150125550-A1 APPLICATION OF 2,9-DI-SEC-BUTYL-1,10-PHENANTHROLINE AS A GLIOBLASTOMA TUMOR CHEMOTHERAPY TOE1, SCLY, SUB1 PDE10A 3550/4885CCR1 3808/4885LMNA 3356/4885

“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.