SCHEMBL5052035

SCHEMBL5052035

C=[U](=C)(=C)(=C)(=C)n1nnc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.44
▸ DGAT1 O75907 1/20 0.41
▸ GRM2 Q14416 2/20 0.39
▸ KCNMA1 Q12791 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MGAM O43451 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ AMY1A P0DUB6 1/20 0.37

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
SCHEMBL3518163 0.68 SLC9A1 (0.48) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL628179 0.68 SLC9A1 (0.48) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL11959496 0.66 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL15548600 0.66 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL11044976 0.66 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL11872036 0.66 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL367850 0.66 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL3072391 0.65 SLC9A1 (0.60) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL9697480 0.62 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL3745056 0.62 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 — — US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 — — US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 — — US disclosed
EP-1497317-B1 DIPEPTIDIC GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-09-06 — — EP disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 — — US disclosed
US-20060167268-A1 Growth hormone secretagogues ELI LILLY AND COMPANY, PATENT DIVISION, (US) 2006-07-27 — — US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 — — EP disclosed
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 — — US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 — — US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 — — US disclosed
US-20050009818-A1 Therapeutic heterocyclic compounds PIERSON EDWARD (US) 2005-01-13 — — US disclosed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 — — US disclosed
EP-1451158-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES AstraZeneca AB (SE) 2004-09-01 — — EP disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 — — US disclosed
US-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 — — US disclosed
US-20040087575-A1 Therapeutic chromone compounds SPORT COURT INTERNATIONAL, INC. 2004-05-06 — — US disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 — — US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 — — US disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US 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 (10 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D SLC9A1 1166/4885MAPT 698/4885POLB 3300/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A SLC9A1 736/4885MAPT 628/4885POLB 2260/4885
US-20040087575-A1 Therapeutic chromone compounds HTR1B, HTR1A, HTR3B SLC9A1 1860/4885MAPT 941/4885POLB 2691/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A SLC9A1 875/4885MAPT 653/4885POLB 3401/4885
US-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 SLC9A1 2190/4885MAPT 3276/4885POLB 3819/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B SLC9A1 782/4885MAPT 661/4885POLB 3472/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B SLC9A1 837/4885MAPT 637/4885POLB 3369/4885
US-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA SLC9A1 2043/4885MAPT 1085/4885POLB 4031/4885
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG SLC9A1 3309/4885MAPT 4848/4885POLB 1848/4885
US-20060167268-A1 Growth hormone secretagogues GHSR, GHRHR, CRH SLC9A1 4249/4885MAPT 4706/4885POLB 4697/4885

“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.

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