SCHEMBL12848709

SCHEMBL12848709

O=C(Nc1ccccn1)c1nc2c(s1)-c1cc(-c3cccnc3)ccc1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.44
▸ EGFR P00533 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ KDR P35968 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ DEGS1 O15121 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL13770534 0.90 CYP11B2 (0.42) SIRT2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL12848715 0.84 ABCB1 (0.40) CYP11B1CYP11B2NPC1RAB9AABL1
SCHEMBL12848873 0.83 ABCB1 (0.46) CYP11B1CYP11B2ABL1ABCB1ABCC1
SCHEMBL13770530 0.83 IRAK4 (0.41) ATRCYP11B1CYP11B2DYRK1ASMN1; SMN2
SCHEMBL14172537 0.82 F2 (0.47) POLBNPSR1NPC1RAB9AMEN1
SCHEMBL12848870 0.82 CYP1A2 (0.51) NPC1RAB9AABCB1ABCC1
SCHEMBL14172855 0.78 MMP2 (0.47) POLBCYP11B1CYP11B2NPC1RAB9A
SCHEMBL12848432 0.75 TDP1 (0.38) POLBNPC1RAB9AABL1SMN1; SMN2
SCHEMBL12848819 0.75 MAPT (0.35) POLBNPC1RAB9AABL1SMN1; SMN2
SCHEMBL14222752 0.74 HDAC4 (0.38) NPC1RAB9AABL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ATR 4715/4885EGFR 1478/4885FGFR1 1091/4885

“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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