Sugi Predict

Sugi Predict / Compounds / SCHEMBL3232802

SCHEMBL3232802

SCHEMBL3232802

Oc1c(Cl)cc(-c2cnc(OCc3ccc(CN4CCN(Cc5cccnc5)CC4)cc3)nn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ TRPV6 Q9H1D0 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ NMT1 P30419 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ TNF P01375 1/20 0.38

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
SCHEMBL3245953 0.88 KDM4E (0.49) TACR3KDM4EALDH1A1
SCHEMBL3247189 0.86 HRH3 (0.42) KDM4EALDH1A1
SCHEMBL3237578 0.85 DRD2 (0.45) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL8017379 0.84 MELK (0.43) —
SCHEMBL3235754 0.83 MEN1 (0.50) ALDH1A1
SCHEMBL3241929 0.83 ACHE (0.43) CHRNB2CHRNA4GFERALDH1A1
SCHEMBL8391600 0.82 JAK1 (0.41) —
SCHEMBL3241383 0.82 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL3239824 0.82 BACE1 (0.36) DRD4KDM4EALDH1A1
SCHEMBL3245703 0.82 CRBN (0.39) DRD2DRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — 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 (3 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 DRD2 2146/4885DRD4 3331/4885DRD3 3169/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 DRD2 3440/4885DRD4 3627/4885DRD3 3522/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 DRD2 3440/4885DRD4 3627/4885DRD3 3522/4885

“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.