SCHEMBL15070179

SCHEMBL15070179

Cn1c(-c2cccnc2)cc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.48
▸ CDC7 O00311 1/20 0.47
▸ KMO O15229 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HK1 P19367 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15070637 0.86 CDC7 (0.49) DHODHCDC7KDM4EHTTHSD17B10
SCHEMBL15074518 0.77 CYP11B2 (0.49) DHODHKMOCYP2C9CYP2C19CYP1A2
SCHEMBL15070214 0.74 ALDH1A1 (0.45) KDM4ELMNACYP2C9CYP2C19CYP1A2
SCHEMBL2731303 0.74 CYP2C9 (0.56) KMOCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL27536158 0.73 NOTUM (0.51) DHODHKDM4ELMNAHTTCYP2C19
SCHEMBL15070369 0.72 CYP11B2 (0.48) KMOCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL28145450 0.71 KMO (0.48) DHODHKMOKDM4ELMNAHTT
SCHEMBL1173860 0.71 HTT (0.56) DHODHKMOKDM4ELMNAHTT
SCHEMBL30335331 0.71 HTT (0.56) DHODHKMOKDM4ELMNAHTT
SCHEMBL29504659 0.71 HTT (0.56) DHODHKMOKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — 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 (1 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B DHODH 3872/4885CDC7 793/4885KMO 4465/4885

“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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