SCHEMBL4142803

SCHEMBL4142803

CCc1nc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
GALR3 O60755 1/20 0.49
RAB9A P51151 5/20 0.49
HIF1A Q16665 4/20 0.48
EPAS1 Q99814 4/20 0.48
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
TSHR P16473 1/20 0.46
STAT3 P40763 1/20 0.46
CDK2 P24941 2/20 0.46
FLT3 P36888 1/20 0.46
CCNA1 P78396 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL4449995 0.94 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4147051 0.91 HIF1A (0.51) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4139081 0.89 HDAC1 (0.50) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4151375 0.89 LRRK2 (0.59) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4134801 0.88 MAPT (0.48) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4144454 0.88 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4137724 0.86 NPC1 (0.50) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL27963367 0.84 SMN1; SMN2 (0.44) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL27955756 0.83 LMNA (0.49) MAPTSMN1; SMN2LMNAMAPK1GALR3
SCHEMBL4147650 0.83 SMN1; SMN2 (0.57) MAPTSMN1; SMN2LMNAMAPK1GALR3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US claimed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US claimed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER UNIVERSITY OF SOUTH ALABAMA (US) 2014-10-16 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
CN-101679308-B Inhibitors of the hedgehog pathway EXELIXIS INC 2014-05-07 CN disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO 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-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3269/4885SMN1; SMN2 3775/4885LMNA 4446/4885
US-20140309184-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF OVARIAN CANCER TP53, ANXA5, VHL MAPT 4180/4885SMN1; SMN2 407/4885LMNA 1453/4885

“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.