SCHEMBL19986390

SCHEMBL19986390

C=CCn1cnc(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
RCE1 Q9Y256 1/20 0.31
PDE4B Q07343 1/20 0.31
ALOX12 P18054 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CASP1 P29466 1/20 0.30
CYP2C19 P33261 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL26692444 0.77
SCHEMBL24329784 0.75
SCHEMBL22555800 0.72
SCHEMBL18114605 0.71
SCHEMBL21630299 0.71
SCHEMBL5777184 0.71
SCHEMBL21630274 0.71
SCHEMBL4760870 0.71
SCHEMBL9497786 0.71
SCHEMBL2051187 0.69 TRHR (0.31)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568326-B2 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-25 US disclosed
US-10568326-B2 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-25 US disclosed
US-20200039973-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-06 US disclosed
US-20200039973-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-06 US disclosed
US-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20190223437-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A 5-SUBSTITUTED IMIDAZOLE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
US-20190223437-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A 5-SUBSTITUTED IMIDAZOLE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
US-10231453-B2 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-19 US disclosed
US-10231453-B2 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-19 US disclosed
WO-2018060074-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018060091-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018060090-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018060093-A1 1,5-SUBSTITUTED IMIDAZOLE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION. BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
US-20180084780-A1 Novel 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-20180084780-A1 Novel 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-20180084780-A1 Novel 5-substituted imidazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
WO-2018050456-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A 5-SUBSTITUTED IMIDAZOLE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 WO 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 (7 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-20180084780-A1 Novel 5-substituted imidazole derivatives MYB, IRF3, PIP5K1B KDM4E 429/4885HPGD 2190/4885MEN1 3969/4885
US-10231453-B2 5-substituted imidazole derivatives MYB, PIKFYVE, PIP5K1B KDM4E 392/4885HPGD 1948/4885MEN1 3794/4885
US-20200039973-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C KDM4E 608/4885HPGD 2995/4885MEN1 3947/4885
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C KDM4E 608/4885HPGD 2995/4885MEN1 3947/4885
US-20200029564-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLOXIRANE DERIVATIVES PIP5K1B, IPMK, IPO5 KDM4E 450/4885HPGD 791/4885MEN1 3706/4885
US-10568326-B2 5-substituted imidazole derivatives MYB, PIKFYVE, PIP5K1B KDM4E 392/4885HPGD 1948/4885MEN1 3794/4885
US-20190223437-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A 5-SUBSTITUTED IMIDAZOLE DERIVATIVE ERG28, API5, CASP5 KDM4E 459/4885HPGD 3311/4885MEN1 2712/4885

“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.