SCHEMBL14183605

SCHEMBL14183605

CSc1nc(Cl)c2c(n1)CSC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL4911163 0.78 KDM4E (0.31) —
SCHEMBL28798730 0.75 — —
SCHEMBL14843025 0.74 ALDH1A1 (0.30) —
SCHEMBL26660095 0.72 KMT2A (0.49) HTR2AHTR2CHTR2BKMT2A
SCHEMBL857098 0.72 KMT2A (0.46) HTR2AHTR2CHTR2BKMT2A
SCHEMBL4899939 0.70 HTR2A (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL856157 0.69 CYP1A2 (0.44) HTR2AHTR2CHTR2BKMT2A
SCHEMBL26890460 0.67 HTR2A (0.44) HTR2AHTR2CHTR2BKMT2A
SCHEMBL19948025 0.67 HTR2A (0.44) HTR2AHTR2CHTR2BKMT2A
SCHEMBL3797050 0.66 PDK1 (0.37) HTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 — — US disclosed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 — — US disclosed
WO-2008021456-A2 N-ARYL-5,7-DIHYDROFURO[3,4-D]PYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-02-21 — — 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-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, API5, CASP5 HTR2A 817/4885HTR2C 1007/4885HTR2B 693/4885

“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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