SCHEMBL14417664

SCHEMBL14417664

CC(C)(C)c1nc(-c2ccc(I)cc2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL14421616 0.84 KMT2A (0.41) METAP2NPC1RAB9A
SCHEMBL17066287 0.84 NPC1 (0.46) ADORA2ANPC1RAB9A
SCHEMBL17066286 0.82 KIF11 (0.46) ADORA2ANPC1RAB9A
SCHEMBL2617474 0.82 NPC1 (0.40) METAP2ADORA2AADORA1NPC1RAB9A
SCHEMBL14531238 0.82 ADORA3 (0.33) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL1690213 0.81 ADORA1 (0.47) MAP2K1ADORA3ADORA2AADORA1RAB9A
SCHEMBL2104701 0.79 ADORA3 (0.33) ADORA3ADORA2AADORA1
SCHEMBL2104139 0.78 ALDH1A1 (0.35) ADORA3ADORA2AADORA1BRAF
SCHEMBL2570966 0.76 NPC1 (0.42) BRAFNPC1RAB9A
SCHEMBL1690338 0.76 MAPK1 (0.45) MAP2K1

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-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 — — US disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 — — 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 METAP2 3706/4885MAP2K1 2270/4885ADORA3 4376/4885

“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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