Sugi Predict

Sugi Predict / Compounds / SCHEMBL960185

SCHEMBL960185

SCHEMBL960185

Nc1nc(Cc2ccccc2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.49
▸ GAA P10253 3/20 0.46
▸ GFER P55789 2/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ MPO P05164 2/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ TPO P07202 1/20 0.41
▸ EPX P11678 1/20 0.41
▸ CHIA Q9BZP6 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7484753 0.90 MPO (0.46) LTB4RGAAGFERLMNACYP3A4
SCHEMBL11010902 0.83 MAOA (0.45) GAAGFERLMNAGLAMPO
SCHEMBL7487232 0.80 MPO (0.55) LMNAGLAMPOMAPTMEN1
SCHEMBL2491086 0.79 ALPL (0.38) GAAGFERLMNAMAPTMEN1
SCHEMBL11581317 0.78 NR1H2 (0.62) GAANR1H2NR1H3CALM1KMT2A
SCHEMBL29595561 0.77 NR1H2 (0.55) LMNACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL14951402 0.77 RAB9A (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4198296 0.77 NR1H2 (0.43) LTB4RGAAGFERCYP2C9NR1H2
SCHEMBL14688312 0.75 PNP (0.45) LMNAKDM4EMEN1KMT2A
SCHEMBL27493738 0.75 HSPA5 (0.48) GAAGFERLMNAGLACYP1A2

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
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2021-12-07 — — US disclosed
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 — — EP disclosed
CN-103930109-B The substituted heterocyclyl amides of N- NOVARTIS AG (CH) 2016-11-30 — — CN disclosed
US-20160235755-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-18 — — US disclosed
US-9278973-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2016-03-08 — — US disclosed
US-20150274740-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-01 — — US disclosed
US-9056867-B2 N-substituted heterocyclyl carboxamides NOVARTIS AG (CH) 2015-06-16 — — US disclosed
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides NOVARTIS AG (CH) 2014-10-30 — — US disclosed
EP-2755652-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES Novartis AG (CH) 2014-07-23 — — EP disclosed
WO-2014066743-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 — — WO disclosed
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 — — US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 — — EP disclosed
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 — — EP disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 — — US disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 — — WO disclosed
EP-2094696-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 — — EP disclosed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 — — WO disclosed
US-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 — — US disclosed
EP-0016565-B1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-05-23 — — EP disclosed
EP-0016565-A1 1,2,4-Triazole derivatives, processes for their production and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1980-10-01 — — 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 (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-20100069407-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 LTB4R 28/4885GAA 3600/4885GFER 3369/4885
US-20160235755-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LTB4R 3230/4885GAA 306/4885GFER 4470/4885
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, DMPK LTB4R 3047/4885GAA 335/4885GFER 4402/4885
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides CFTR, AQP1, BDKRB1 LTB4R 31/4885GAA 2640/4885GFER 1133/4885
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 LTB4R 38/4885GAA 4455/4885GFER 3122/4885
US-20150274740-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LTB4R 3230/4885GAA 306/4885GFER 4470/4885

“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.