SCHEMBL3675889

SCHEMBL3675889

CNc1nc(Cl)nc2c1ncn2CCC(=O)OC(C)(C)CCCOC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.46
YTHDC1 Q96MU7 12/20 0.46

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
SCHEMBL26217517 0.76 YTHDC1 (0.56) P2RY1YTHDC1
SCHEMBL690985 0.75 P2RY1 (0.68) P2RY1YTHDC1
SCHEMBL30513029 0.75 P2RY1 (0.68) P2RY1YTHDC1
SCHEMBL29427723 0.72 P2RY1 (0.56) P2RY1YTHDC1
SCHEMBL31425733 0.70 P2RY1 (0.53) P2RY1YTHDC1
SCHEMBL20774171 0.66 P2RX7 (0.49) P2RY1YTHDC1
SCHEMBL9584187 0.66 P2RY1 (0.50) P2RY1YTHDC1
SCHEMBL26224198 0.65 YTHDC1 (0.56) P2RY1YTHDC1
SCHEMBL19633358 0.65 CDK1 (0.52) P2RY1YTHDC1
SCHEMBL19575375 0.64 YTHDC1 (0.43) P2RY1YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183598-A1 METHODS OF TREATING CARDIOVASCULAR DISORDERS CAROLUS THERAPEUTICS, INC. (US) 2010-07-22 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 (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-20100183598-A1 METHODS OF TREATING CARDIOVASCULAR DISORDERS TNNI3, TNNT2, FABP3 P2RY1 352/4885YTHDC1 1722/4885

“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.