SCHEMBL3585380

SCHEMBL3585380

Cc1c[c]cc2cc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TAF1 P21675 1/20 0.37
BRPF1 P55201 1/20 0.37
CREBBP Q92793 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
AHR P35869 2/20 0.33
TRPA1 O75762 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
ADK P55263 1/20 0.33
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL443809 0.74 AHR (0.52) AHRTRPA1CA1CA2ITGB2
SCHEMBL4462623 0.74 MEN1 (0.35) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL314329 0.69 CA12 (0.39) CA1CA4CA6
SCHEMBL443284 0.69 KDM4E (0.39) AHRTRPA1CA1CA2ITGB2
SCHEMBL27969756 0.69 BACE1 (0.33) AHRTRPA1CA1CA2ITGB2
SCHEMBL129649 0.68 AHR (0.56) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL10850227 0.67 PDPK1 (0.59)
SCHEMBL4798726 0.67 CYP1A2 (0.40) BRD4TAF1BRPF1CREBBPCECR2
Methane SCHEMBL27911669 0.67 AHR (0.54) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL14438031 0.65 AHR (0.38) BRD4TAF1BRPF1CREBBPCECR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
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
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO 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 (5 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 BRD4 2429/4885TAF1 353/4885BRPF1 4373/4885
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles MAP4K2, MAP4K1, MAP4K3 BRD4 1200/4885TAF1 2061/4885BRPF1 1390/4885
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 BRD4 491/4885TAF1 441/4885BRPF1 3206/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B BRD4 3456/4885TAF1 1028/4885BRPF1 3825/4885
US-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors MAP4K2, CNKSR1, MAP3K1 BRD4 318/4885TAF1 2651/4885BRPF1 1230/4885

“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.