SCHEMBL2934474

SCHEMBL2934474

O=C(O)c1ccc2nc(Nc3ccccc3F)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HDAC6 Q9UBN7 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ESR2 Q92731 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR4A2 P43354 1/20 0.50
ABL1 P00519 3/20 0.49
PIK3CA P42336 1/20 0.48
ABCC4 O15439 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL2933099 0.88 HSP90AA1 (0.52) AKR1C3POLBMEN1NPC1CASP3
SCHEMBL2927124 0.84 SMN1; SMN2 (0.56) AKR1C3POLBHDAC6SMN1; SMN2HSP90AA1
SCHEMBL2930797 0.84 AKR1C3 (0.56) AKR1C3POLBMEN1NPC1RAB9A
SCHEMBL2928349 0.84 HDAC6 (0.55) AKR1C3POLBHDAC6SMN1; SMN2HSP90AA1
SCHEMBL2929624 0.83 ALDH1A1 (0.54) AKR1C3POLBNPC1RAB9AHDAC6
SCHEMBL2931480 0.82 AKR1C3 (0.51) AKR1C3POLBRAB9AHDAC6SMN1; SMN2
SCHEMBL2927341 0.82 LMNA (0.65) AKR1C3POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2931503 0.82 AKR1C3 (0.51) AKR1C3POLBNPC1HDAC6SMN1; SMN2
SCHEMBL2930334 0.82 SMN1; SMN2 (0.50) AKR1C3POLBNPC1RAB9AHDAC6
SCHEMBL3120847 0.81 POLB (0.55) AKR1C3POLBNPC1RAB9AHDAC6

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-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 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-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885POLB 1990/4885MEN1 895/4885

“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.