SCHEMBL4155966

SCHEMBL4155966

CCNC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
POLB P06746 1/20 0.53
JAK2 O60674 4/20 0.52
JAK1 P23458 4/20 0.52
TYK2 P29597 4/20 0.52
P2RX7 Q99572 2/20 0.51
CYP3A4 P08684 1/20 0.47
FEN1 P39748 1/20 0.47
ALDH2 P05091 3/20 0.47
RAB9A P51151 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
PRKCZ Q05513 1/20 0.44

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
SCHEMBL7217875 0.88 ALDH1A1 (0.50) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL8932345 0.88 P2RX7 (0.57) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL5022118 0.88 HPGD (0.59) HPGDPOLBJAK2JAK1TYK2
SCHEMBL18885419 0.87 TYK2 (0.57) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL7224446 0.85 HPGD (0.46) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL7217139 0.85 ALDH1A1 (0.46) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL10289215 0.85 ALDH1A1 (0.57) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL7224440 0.84 HPGD (0.45) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL15038350 0.83 ALDH1A1 (0.65) ALDH1A1HPGDPOLBJAK2JAK1
SCHEMBL19541876 0.83 HPGD (0.56) ALDH1A1HPGDPOLBJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-08-13 US disclosed
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-02-19 US disclosed
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-06-28 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 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 (6 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 ALDH1A1 2009/4885HPGD 4315/4885POLB 2097/4885
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA ALDH1A1 1640/4885HPGD 452/4885POLB 3571/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA ALDH1A1 1640/4885HPGD 452/4885POLB 3571/4885
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB ALDH1A1 224/4885HPGD 561/4885POLB 2633/4885
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORA, RORB ALDH1A1 322/4885HPGD 539/4885POLB 3306/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 ALDH1A1 1506/4885HPGD 3495/4885POLB 938/4885

“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.