SCHEMBL3436710

SCHEMBL3436710

Cc1cnn(C)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MDM2 Q00987 1/20 0.34

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
SCHEMBL20888096 0.76 ALDH1A1 (0.48) HSP90AA1HSP90AB1CYP1A2CYP3A4GAA
SCHEMBL3436557 0.74 MEN1 (0.46) HSP90AA1HSP90AB1CYP1A2CYP3A4GAA
SCHEMBL12809767 0.74 SYK (0.43) CYP3A4GAACYP2C9CYP2C19MEN1
SCHEMBL3436703 0.72 ALDH1A1 (0.38) HSP90AA1HSP90AB1CYP1A2CYP3A4GAA
SCHEMBL3436553 0.72 SMN1; SMN2 (0.44) HSP90AA1HSP90AB1MEN1POLBKMT2A
SCHEMBL3436558 0.72 KMT2A (0.43) HSP90AA1HSP90AB1MEN1POLBKMT2A
SCHEMBL3436532 0.72 CHRM1 (0.45) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436405 0.71 TRPV1 (0.50) MEN1POLBKMT2A
SCHEMBL5228101 0.71 MEN1 (0.55) GAAKDM4EMEN1POLBKMT2A
SCHEMBL20255391 0.71 AOC3 (0.42) HSP90AA1HSP90AB1CYP1A2CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 — — US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HSP90AA1 3446/4885HSP90AB1 3216/4885CYP1A2 1955/4885

“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.

Send feedback