SCHEMBL12310541

SCHEMBL12310541

C[C@H]1C[C@@H](COP(=O)(O)O)O[C@H]1c1scc2c(N)ncnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ P2RY11 Q96G91 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
SCHEMBL12261208 0.74 DNPH1 (0.41) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL12310632 0.72 FUT5 (0.42) P2RY2POLB
SCHEMBL14313960 0.71 PRMT5 (0.48) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20324814 0.70 P2RY1 (0.66) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL12261199 0.66 P2RX1 (0.46) SRCP2RY2P2RY1SMN1; SMN2
SCHEMBL13260668 0.66 HIF1A (0.37) —
SCHEMBL12261313 0.64 HIF1A (0.57) ADORA1SMN1; SMN2POLB
SCHEMBL10266135 0.64 P2RX3 (0.47) SRCP2RY2P2RY1SMN1; SMN2
SCHEMBL16374436 0.64 P2RY1 (0.66) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL14313963 0.64 P2RX3 (0.49) SRCP2RY2P2RY1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 — — US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 — — 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-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP DNPH1 536/4885PRKAB2 900/4885TRPM2 4733/4885

“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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