SCHEMBL2314617

SCHEMBL2314617

Cn1ncc2cnc3[nH]c(-c4ccc5ncccc5c4)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RIPK1 Q13546 6/20 0.39
▸ MET P08581 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ EPHB4 P54760 1/20 0.38

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
SCHEMBL2319679 0.87 FGFR3 (0.38) FGFR3ABL1KDRDYRK1AWNT1
SCHEMBL2318685 0.81 KIT (0.44) ALDH1A1EGFRDYRK1A
SCHEMBL2318092 0.80 GSK3B (0.43) ABL1KDR
SCHEMBL2316874 0.80 KIT (0.42) FGFR3EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL12557112 0.79 AURKA (0.41) CCNB2CDK1CCNB1CCNB3
SCHEMBL1933355 0.79 FGFR3 (0.39) FGFR3ABL1SRCPIK3CB
SCHEMBL2318344 0.78 IKBKB (0.54) —
SCHEMBL12389804 0.77 CCNB2 (0.48) NPC1RAB9ARIPK1FGFR3EGFR
SCHEMBL2318637 0.76 TBK1 (0.40) FGFR3PIK3CAMTOR
SCHEMBL2317767 0.76 IKBKB (0.57) METABL1PIK3CAKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US claimed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 NPC1 685/4885POLB 2384/4885RAB9A 3628/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 NPC1 685/4885POLB 2384/4885RAB9A 3628/4885

“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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