SCHEMBL15912446

SCHEMBL15912446

CCc1[nH]nnc1-c1ccc(I)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ APP P05067 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31

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
SCHEMBL14498353 0.81 PTGS1 (0.40) —
SCHEMBL412079 0.70 TNIK (0.36) TNIK
SCHEMBL14847319 0.70 TNIK (0.36) TNIK
SCHEMBL24997892 0.69 TP53 (0.40) TP53
SCHEMBL8583332 0.68 DPP4 (0.39) —
SCHEMBL284039 0.65 ALDH1A1 (0.43) —
SCHEMBL8513161 0.65 HRH3 (0.41) —
SCHEMBL28209837 0.65 CASP3 (0.45) TGFBR1
SCHEMBL5437614 0.65 SLC6A4 (0.36) TP53
SCHEMBL5427187 0.64 ALDH1A1 (0.35) TP53

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 — — 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 (2 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TNIK 2051/4885TP53 4335/4885APP 2529/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TNIK 2051/4885TP53 4335/4885APP 2529/4885

“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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