SCHEMBL642943

SCHEMBL642943

Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(O)c1cccc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.34
METAP2 P50579 2/20 0.33
METAP1 P53582 2/20 0.33
MMP2 P08253 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
COMT P21964 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
RCE1 Q9Y256 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2453942 0.85 TSHR (0.44) KDM4EALDH1A1TSHRADRA1ACYP3A4
SCHEMBL642872 0.84 ALDH1A1 (0.37) KDM4EMAPTNPSR1ALDH1A1METAP2
SCHEMBL3026300 0.79 TSHR (0.34) KDM4EMAPTALDH1A1METAP2METAP1
SCHEMBL642083 0.79 CYP3A4 (0.40) ALDH1A1CYP3A4CYP2C19OPRM1OPRD1
SCHEMBL7456159 0.70 HSP90AA1 (0.35) ALDH1A1HIF1A
SCHEMBL1423832 0.68 TSHR (0.44) MAPTALDH1A1TSHRADRA1ACYP3A4
SCHEMBL17541529 0.68 MMP2 (0.52) KDM4EMAPTNPSR1ALDH1A1METAP2
SCHEMBL644193 0.67 CYP3A4 (0.39) ALDH1A1CYP3A4CYP2C19LMNAOPRM1
SCHEMBL8496498 0.65 HSP90AA1 (0.32)
SCHEMBL10439558 0.65 CYP1A2 (0.44) KDM4EMAPTNPSR1ALDH1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 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 (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-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 KDM4E 3836/4885MAPT 2162/4885NPSR1 3193/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 KDM4E 3646/4885MAPT 2033/4885NPSR1 704/4885

“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.