SCHEMBL1487587

SCHEMBL1487587

O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(N3CCOCC3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.39
AKT1 P31749 6/20 0.39
MTOR P42345 5/20 0.39
ACVR1 Q04771 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13746484 0.93 PTPN11 (0.41) PIK3CAAKT1MTORACVR1PKM
SCHEMBL13746452 0.84 ACVR1 (0.42) ACVR1BRD4ALDH1A1SMN1; SMN2
SCHEMBL13753991 0.84 ACVR1 (0.40) PIK3CAAKT1MTORACVR1BRD4
SCHEMBL8488870 0.82 BRD4 (0.41) BRD4
SCHEMBL1487531 0.82 HTR6 (0.38) BRD4
SCHEMBL8488593 0.82 HTR6 (0.38) BRD4
SCHEMBL3347141 0.80 HTR6 (0.38) BRD4
SCHEMBL3354296 0.80 HTR6 (0.43) BRD4
SCHEMBL4246057 0.80 ACVR1 (0.48) PIK3CAAKT1MTORACVR1PKM
SCHEMBL13745685 0.79 PTPN11 (0.42) BRD4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 PIK3CA 1960/4885AKT1 529/4885MTOR 246/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 PIK3CA 2108/4885AKT1 561/4885MTOR 269/4885

“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.