SCHEMBL4473450

SCHEMBL4473450

COc1ccnc2cc[c]cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
DOT1L Q8TEK3 1/20 0.38
GAK O14976 1/20 0.37
RIPK2 O43353 1/20 0.37
COQ8A Q8NI60 1/20 0.37
NLK Q9UBE8 1/20 0.37
FGFR2 P21802 2/20 0.36
EGFR P00533 2/20 0.36

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
SCHEMBL27845398 0.85 PDGFRB (0.41) PDGFRBPDGFRADOT1LFGFR2EGFR
SCHEMBL6986509 0.84
SCHEMBL28456218 0.77
SCHEMBL1402281 0.74 IMPDH2 (0.42)
SCHEMBL28348041 0.74 PSMD14 (0.46)
SCHEMBL4475122 0.73 KDM4E (0.32)
SCHEMBL4455983 0.73 AXL (0.37)
SCHEMBL21834220 0.73 PRKCI (0.37)
SCHEMBL8490190 0.73 NCF1 (0.53)
SCHEMBL5748554 0.73 NQO2 (0.41) GAKRIPK2COQ8ANLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563713-A 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine 王兴理 2019-12-13 CN claimed
CN-110563713-A 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine 王兴理 2019-12-13 CN 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
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
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN 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 (2 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 PDGFRB 4295/4885PDGFRA 4442/4885DOT1L 1587/4885
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 PDGFRB 2678/4885PDGFRA 3743/4885DOT1L 904/4885

“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.