SCHEMBL5215192

SCHEMBL5215192

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.43
CNR1 P21554 1/20 0.42
TNKS O95271 2/20 0.42
PIK3CB P42338 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
AURKA O14965 1/20 0.38
MGLL Q99685 1/20 0.38
CETP P11597 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
SCHEMBL5211421 0.97 TNKS (0.42) PIN1TNKSACHEBACE1POLB
SCHEMBL5211058 0.94 CNR1 (0.39) PIN1CNR1TNKSACHEBACE1
SCHEMBL5208205 0.93 TP53 (0.42) TNKSPOLBMAPTCETP
SCHEMBL5210100 0.93 PTGDR2 (0.40) PIN1TNKSACHEBACE1POLB
SCHEMBL5207954 0.92 RAB9A (0.42) TNKSPOLBMAPT
SCHEMBL5210803 0.91 AURKA (0.43) TNKSMAPTAURKACETP
SCHEMBL5211745 0.91 MAPT (0.41) CNR1TNKSPOLBMAPT
SCHEMBL5211475 0.91 MAPT (0.41) TNKSPOLBMAPT
SCHEMBL5208761 0.91 POLB (0.44) CNR1TNKSPOLBMAPTCETP
SCHEMBL5212587 0.91 THRB (0.50) MAPTAURKACETP

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 PIN1 507/4885CNR1 193/4885TNKS 4684/4885

“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.