SCHEMBL3777210

SCHEMBL3777210

NC(N)=NC(=O)c1ccc2c3ccccc3n(Cc3cccs3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 9/20 0.46
▸ HTR7 P34969 6/20 0.44
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SLC9A1 P19634 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL13635138 0.87 HTR2B (0.40) HTR2BHTR7HDAC1HDAC6HDAC11
SCHEMBL13011375 0.83 ALDH1A1 (0.49) HDAC1HDAC6HDAC11HDAC8HDAC10
SCHEMBL13011775 0.83 HTR2B (0.46) HTR2BHTR7HDAC1HDAC6SLC9A1
SCHEMBL13011911 0.83 NPC1 (0.46) HDAC1HDAC6HDAC11HDAC8KDM4E
SCHEMBL13011681 0.83 HTR2B (0.45) HTR2BHTR7HDAC1HDAC6SLC9A1
SCHEMBL3767125 0.82 CYP19A1 (0.53) HTR2BHTR7HDAC1HDAC6HDAC11
SCHEMBL13011776 0.82 HTR2B (0.41) HTR2BHTR7SLC9A1HTR5A
SCHEMBL13011744 0.81 HTR2B (0.43) HTR2BHTR7HDAC1HDAC6HDAC11
SCHEMBL13011656 0.81 CNR2 (0.53) HTR2BHTR7HDAC1HDAC6HDAC10
SCHEMBL13061919 0.80 PTGER4 (0.42) HDAC1HDAC6HDAC11HDAC8KMT2A

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US claimed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP claimed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E HTR2B 7/4885HTR7 17/4885HDAC1 580/4885

“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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