SCHEMBL12261208

SCHEMBL12261208

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ TRPM2 O94759 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ P2RY2 P41231 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ P2RY11 Q96G91 1/20 0.41

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
SCHEMBL12261199 0.91 P2RX1 (0.46) SRCP2RY2P2RY1SMN1; SMN2ENTPD1
SCHEMBL12261152 0.84 ADORA2A (0.47) ADORA1SMN1; SMN2
SCHEMBL12261196 0.83 FAP (0.37) —
SCHEMBL12261176 0.82 CA12 (0.39) —
SCHEMBL12261233 0.80 HPRT1 (0.41) P2RY2TAS1R3TAS1R1
SCHEMBL264918 0.78 DNPH1 (0.42) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL12310551 0.74 CA12 (0.39) —
SCHEMBL12310541 0.74 DNPH1 (0.38) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL16359555 0.74 PRMT5 (0.33) —
SCHEMBL12261211 0.73 PRMT5 (0.32) —

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-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 — — US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 — — US disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 — — WO disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 — — 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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