SCHEMBL2318685

SCHEMBL2318685

Cn1ncc2cnc3[nH]c(-c4cccnc4)cc3c21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CLK2 P49760 2/20 0.40
▸ CLK3 P49761 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 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
SCHEMBL2316874 0.86 KIT (0.42) KITEGFRCSF1RCLK2DYRK1A
SCHEMBL12557112 0.83 AURKA (0.41) CSF1RIKBKBCHUK
SCHEMBL2318344 0.82 IKBKB (0.54) KITIKBKBCHUK
SCHEMBL2314617 0.81 NPC1 (0.43) EGFRDYRK1AALDH1A1
SCHEMBL2319679 0.80 FGFR3 (0.38) DYRK1AIKBKBCHUK
SCHEMBL2319865 0.79 CHUK (0.57) EGFRCSF1RIKBKBCHUK
SCHEMBL2317767 0.79 IKBKB (0.57) KITCSF1RIKBKBCHUK
SCHEMBL2317117 0.79 IKBKB (0.36) KITPTK2IKBKBCHUK
SCHEMBL1536818 0.79 KIT (0.45) KIT
SCHEMBL1537036 0.78 PIK3CA (0.41) KITEGFRIKBKBCHUK

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 KIT 334/4885PTK2 4003/4885CYP19A1 58/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KIT 334/4885PTK2 4003/4885CYP19A1 58/4885

“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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