SCHEMBL4126650

SCHEMBL4126650

Cc1[c]cc2cc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
AHR P35869 7/20 0.41
CMA1 P23946 1/20 0.41
TYR P14679 1/20 0.41
CYP2A6 P11509 2/20 0.37
ENPP2 Q13822 2/20 0.37
CSNK2A1 P68400 1/20 0.37
TRPA1 O75762 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
ADK P55263 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
SCHEMBL1437968 0.83 GPR84 (0.42) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL4465171 0.75 AHR (0.50) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL446166 0.75 GPR84 (0.52) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL4459454 0.75 MEN1 (0.50) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL2530865 0.69 GPR84 (0.67) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL827047 0.69 GPR84 (0.54) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL11994 0.67 AHR (0.56) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL29556250 0.67 AHR (0.56) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL3731175 0.66 GPR84 (0.64) GPR84MEN1POLBMAPK1KMT2A
SCHEMBL451836 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066675-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES Wyeth (US) 2009-06-10 EP disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
EP-1937690-A1 THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-07-02 EP disclosed
WO-2008039414-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES WYETH (US) 2008-04-03 WO disclosed
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles WYETH 2008-03-27 US disclosed
US-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2007-04-12 US disclosed
WO-2007038519-A1 THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-04-05 WO disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 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 (4 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 GPR84 1164/4885MEN1 4502/4885POLB 1677/4885
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles MAP4K2, MAP4K1, MAP4K3 GPR84 4778/4885MEN1 1879/4885POLB 1690/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG GPR84 1403/4885MEN1 4698/4885POLB 607/4885
US-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors MAP4K2, CNKSR1, MAP3K1 GPR84 2606/4885MEN1 2021/4885POLB 3626/4885

“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.