SCHEMBL18030938

SCHEMBL18030938

Cn1c2ccccc2c2cc(C#N)cc(C#N)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ ALKBH5 Q6P6C2 1/20 0.44
▸ FTO Q9C0B1 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAOA P21397 1/20 0.38
▸ AHR P35869 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GLA P06280 2/20 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
SCHEMBL18028320 0.84 ALKBH5 (0.47) IMPDH2GPR3ALKBH5FTOEGFR
SCHEMBL17032702 0.80 ALKBH5 (0.58) IMPDH2GPR3ALKBH5FTOEGFR
SCHEMBL18030933 0.78 IMPDH2 (0.46) IMPDH2GPR3EGFRSRCKDM4E
SCHEMBL18030969 0.77 EGFR (0.40) IMPDH2ALKBH5FTOEGFRSRC
SCHEMBL9103614 0.77 GPR3 (0.57) IMPDH2GPR3EGFRSRCPTGER4
SCHEMBL20086156 0.76 PTGER4 (0.44) IMPDH2GPR3EGFRSRCPTGER4
SCHEMBL18030939 0.74 ALKBH5 (0.39) IMPDH2ALKBH5FTOEGFRSRC
SCHEMBL17570607 0.73 IMPDH2 (0.43) IMPDH2PTGER4KDM4EMAPTALDH1A1
SCHEMBL18030940 0.73 GPR3 (0.57) IMPDH2GPR3ALKBH5FTOEGFR
SCHEMBL17032695 0.73 GPR3 (0.57) IMPDH2GPR3EGFRSRCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061759-B1 NITRILE SUBSTITUTED DIBENZOFURANS IDEMITSU KOSAN CO (JP) 2019-12-25 — — EP disclosed
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 — — EP disclosed
US-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 — — US disclosed
EP-3061759-A1 NITRILE SUBSTITUTED DIBENZOFURANS Idemitsu Kosan Co., Ltd (JP) 2016-08-31 — — EP disclosed
US-20160248026-A1 NITRILE SUBSTITUTED DIBENZOFURANS IDEMITSU KOSAN CO., LTD. (JP) 2016-08-25 — — US 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-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES DBF4, DDT, SLC43A3 IMPDH2 1250/4885GPR3 4658/4885ALKBH5 1111/4885
US-20160248026-A1 NITRILE SUBSTITUTED DIBENZOFURANS DBF4, NXF1, NCF1 IMPDH2 2051/4885GPR3 4779/4885ALKBH5 601/4885

“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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