SCHEMBL2695778

SCHEMBL2695778

CC(C)c1n[nH]c2ccnc(-c3cnc4ccccc4c3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.52
▸ BMPR1B O00238 1/20 0.52
▸ PIK3C2G O75747 1/20 0.52
▸ CDKL5 O76039 1/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ CLK2 P49760 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ STK32B Q9NY57 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ IRAK3 Q9Y616 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.52
▸ PIM3 Q86V86 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.46
▸ SRC P12931 3/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ PDGFRB P09619 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ EGFR P00533 1/20 0.42

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
SCHEMBL2695211 0.80 PDGFRB (0.44) PIM1LRRK2PIM3PIM2KDM5B
SCHEMBL2693998 0.80 HSP90AA1 (0.47) KDM5BPDGFRBPDGFRAKDRCYP2A6
SCHEMBL17179205 0.72 PIM1 (0.60) PIM1BMPR1BPIK3C2GCDKL5TYK2
SCHEMBL15723924 0.71 CYP2A6 (0.53) SRCABL1PDGFRBPDGFRAPIK3CD
SCHEMBL27010951 0.70 LRRK2 (0.35) PIM1TYK2CLK2DYRK1ALRRK2
SCHEMBL16200195 0.69 PDGFRB (0.49) PIM1BMPR1BPIK3C2GCDKL5TYK2
SCHEMBL883508 0.69 LRRK2 (1.00) LRRK2
SCHEMBL5292377 0.68 PDGFRB (0.56) PIM1BMPR1BPIK3C2GCDKL5TYK2
SCHEMBL462907 0.68 PDGFRA (0.51) PIM1LRRK2PIM3PIM2PDGFRB
SCHEMBL1990603 0.68 PIM1 (1.00) PIM1BMPR1BPIK3C2GCDKL5TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 — — US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 — — EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 — — US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 — — US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 — — EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 — — 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 PIM1 4623/4885BMPR1B 3081/4885PIK3C2G 2887/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 PIM1 4623/4885BMPR1B 3081/4885PIK3C2G 2887/4885

“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.

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