Sugi Predict

Sugi Predict / Compounds / SCHEMBL3507693

SCHEMBL3507693

SCHEMBL3507693

COc1ccc(CN(Cc2cn(-c3ccc(I)cc3)nc2-c2cccnc2)C(=O)c2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL1001887 0.92 MAPK1 (0.41) L3MBTL1ALDH1A1KDM4EGAANPC1
SCHEMBL3507659 0.88 F10 (0.43) L3MBTL1ALDH1A1KDM4EOPRM1OPRD1
SCHEMBL3506367 0.87 F10 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3511132 0.84 KMT2A (0.39) L3MBTL1ALDH1A1KDM4EGAANPC1
SCHEMBL1001613 0.82 GAA (0.39) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL1002607 0.81 NPC1 (0.37) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL1003348 0.81 CDK2 (0.44) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL12311487 0.80 F10 (0.46) ALDH1A1KDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL3507730 0.79 F10 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3508057 0.79 F10 (0.45) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 — — US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 — — US disclosed
US-8263624-B2 Aryl-substituted heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-11 — — US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 — — US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 — — US disclosed
US-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG 2010-02-04 — — US disclosed
WO-2007137791-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 — — 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 (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-20100029651-A1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF AHR, CYP2C19, PAH L3MBTL1 2770/4885ALDH1A1 318/4885KDM4E 1481/4885

“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.