SCHEMBL12796689

SCHEMBL12796689

Cc1cnccc1NC(=O)c1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL12796687 0.89 ABCB1 (0.53) ABCB1CREBBPCYP11B1CYP11B2NTRK1
SCHEMBL12796685 0.84 ABCB1 (0.56) ABCB1CYP11B2NTRK1HDAC1ABCC1
SCHEMBL12796686 0.83 ABCB1 (0.46) ABCB1CREBBPCYP11B1CYP11B2NTRK1
SCHEMBL12796659 0.83 ABCB1 (0.46) ABCB1CREBBPCYP11B1CYP11B2NTRK1
SCHEMBL12796690 0.83 TYK2 (0.41) ABCB1CREBBPCYP11B1CYP11B2ALDH1A1
SCHEMBL12848904 0.82 CREBBP (0.42) ABCB1CREBBPCYP11B1CYP11B2SLC2A1
SCHEMBL12848730 0.80 MEN1 (0.42) ABCB1CREBBPCYP11B1CYP11B2ALDH1A1
SCHEMBL13770530 0.79 IRAK4 (0.41) ABCB1CREBBPCYP11B1CYP11B2ALDH1A1
SCHEMBL12848439 0.76 CLK2 (0.45) CREBBPCYP11B1CYP11B2NPY5RCHEK2
SCHEMBL12848891 0.74 DYRK1A (0.44) ABCB1CREBBPCYP11B1CYP11B2ABCC1

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ABCB1 435/4885CREBBP 768/4885CYP11B1 458/4885

“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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