SCHEMBL3137648

SCHEMBL3137648

CC1(C)OB(c2cnc(N)c(C(=O)NCCN3CCCC3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.44
BMPR1A P36894 2/20 0.44
TGFBR1 P36897 2/20 0.44
ACVRL1 P37023 2/20 0.44
ACVR1 Q04771 2/20 0.44
HTR4 Q13639 1/20 0.43
KIT P10721 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
MAP4K4 O95819 1/20 0.41
ATR Q13535 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12990444 0.81 PDGFRB (0.47) JAK2JAK1TYK2JAK3PDGFRB
SCHEMBL29857682 0.78 PDGFRB (0.50) JAK2JAK1TYK2JAK3PDGFRB
SCHEMBL2067063 0.78 PDGFRB (0.50) JAK2JAK1TYK2JAK3PDGFRB
SCHEMBL24270053 0.77 NPSR1 (0.47) MEN1KMT2ANPSR1HSD17B10
SCHEMBL3146262 0.77 PHF13 (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3334146 0.76 NPSR1 (0.61) MEN1KMT2ANPSR1
SCHEMBL359635 0.73 PDGFRB (0.50) PDGFRBKDR
SCHEMBL29858041 0.73 PDGFRB (0.50) PDGFRBKDR
SCHEMBL2824787 0.72 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1HSD17B10
SCHEMBL2111992 0.70 PDGFRB (0.47) JAK2JAK1TYK2JAK3PDGFRB

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
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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 (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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB BMPR1B 1947/4885BMPR1A 1660/4885TGFBR1 1388/4885

“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.