SCHEMBL12848904

SCHEMBL12848904

Cc1cnccc1C(=O)Nc1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.42
▸ DYRK1A Q13627 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ BLK P51451 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ NPY5R Q15761 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ CSF1R P07333 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
SCHEMBL12848891 0.89 DYRK1A (0.44) CREBBPDYRK1ACYP11B2CYP11B1NPY5R
SCHEMBL12848439 0.83 CLK2 (0.45) CREBBPDYRK1AWNT1CYP11B2CYP11B1
SCHEMBL12848831 0.83 DYRK1A (0.46) CREBBPDYRK1AWNT1CYP11B2CYP11B1
SCHEMBL12848829 0.83 LMNA (0.49) CREBBPDYRK1AWNT1CYP11B2CYP11B1
SCHEMBL12796689 0.82 ABCB1 (0.43) CREBBPCYP11B2CYP11B1NPY5RSLC2A1
SCHEMBL4767825 0.77 ABL1 (0.53) DYRK1AWNT1CYP11B2BLKBTK
SCHEMBL14172610 0.77 CYP2C9 (0.43) CREBBPCYP11B2NPC1TP53HTT
SCHEMBL12796687 0.74 ABCB1 (0.53) CREBBPCYP11B2CYP11B1NPY5RABCB1
SCHEMBL12796690 0.73 TYK2 (0.41) CREBBPCYP11B2CYP11B1MKNK1MKNK2
SCHEMBL12796659 0.73 ABCB1 (0.46) CREBBPCYP11B2CYP11B1NPY5RABCB1

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-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 CREBBP 768/4885DYRK1A 4376/4885WNT1 3183/4885

“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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