SCHEMBL6420262

SCHEMBL6420262

Cc1cnc2c(C#N)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.40
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35

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
SCHEMBL6420817 0.86 NR1H2 (0.40) NR1H2GABRA1GABRG2GABRB3GABRA2
SCHEMBL22654791 0.79 HTT (0.38) NR1H2HTTNPSR1TDP1
SCHEMBL21776701 0.79 KDM4E (0.38) NR1H2HTTHPGDSMEN1KMT2A
SCHEMBL22672653 0.79 LRRK2 (0.38) NR1H2TSHRHTTHPGDSPKMYT1
SCHEMBL31360423 0.79 NCF1 (0.39) NR1H2TSHRHTTHPGDSMEN1
SCHEMBL8404386 0.76 PRMT5 (0.42) MAPT
SCHEMBL31360500 0.75 CNR2 (0.46) TSHRHTTMEN1MAPTKMT2A
SCHEMBL31360470 0.75 HTR3A (0.59) TSHRHTTMAPTKMT2A
SCHEMBL1041830 0.73 ACHE (0.57) TSHRMEN1MAPTKMT2ANPSR1
SCHEMBL6420259 0.73 CYP1A2 (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036963-B Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2013-08-21 — — CN disclosed
CN-102036963-A Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2011-04-27 — — CN disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 — — US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 — — EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 — — US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 — — US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 — — US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 — — 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 NR1H2 107/4885GABRA1 3683/4885GABRG2 4296/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 NR1H2 203/4885GABRA1 2196/4885GABRG2 3517/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 NR1H2 180/4885GABRA1 2134/4885GABRG2 3560/4885

“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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