SCHEMBL12796687

SCHEMBL12796687

O=C(Nc1ccncc1F)c1cnc2c(c1)CCCc1ccc(-c3cccnc3)cc1-2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.53
▸ ABCC1 P33527 2/20 0.46
▸ NTRK1 P04629 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ GAA P10253 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
SCHEMBL12796685 0.91 ABCB1 (0.56) ABCB1ABCC1NTRK1CYP3A4CYP2C19
SCHEMBL12796686 0.90 ABCB1 (0.46) ABCB1ABCC1NTRK1CYP3A4ADORA2B
SCHEMBL12796689 0.89 ABCB1 (0.43) ABCB1ABCC1NTRK1CYP11B1CYP11B2
SCHEMBL12796659 0.88 ABCB1 (0.46) ABCB1ABCC1NTRK1CYP3A4ADORA2B
SCHEMBL12796690 0.83 TYK2 (0.41) ABCB1CYP3A4ADORA2BCYP2C19CYP11B1
SCHEMBL12848891 0.82 DYRK1A (0.44) ABCB1ABCC1CYP3A4ADORA2BCYP2C19
SCHEMBL12848831 0.81 DYRK1A (0.46) ABCB1NTRK1CYP3A4ADORA2BCYP2C19
SCHEMBL12848881 0.80 ABCB1 (0.48) ABCB1ABCC1CYP3A4CYP2C19ROCK2
SCHEMBL12848829 0.79 LMNA (0.49) ABCB1NTRK1CYP11B1CYP11B2CREBBP
SCHEMBL12848873 0.79 ABCB1 (0.46) ABCB1ABCC1CYP3A4ADORA2BCYP2C19

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 435/4885ABCC1 511/4885NTRK1 4313/4885

“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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