SCHEMBL2315670

SCHEMBL2315670

Cc1ccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ CHUK O15111 2/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ RET P07949 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ CDK7 P50613 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ PRKAA1 Q13131 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL1933917 0.83 GSK3B (0.47) CDK9IKBKBCHUKABL1RET
SCHEMBL12557112 0.81 AURKA (0.41) IKBKBCHUKCDK5AURKBAURKA
SCHEMBL2316874 0.76 KIT (0.42) IKBKBCHUKCDK5AURKBAURKA
SCHEMBL2317117 0.76 IKBKB (0.36) IKBKBCHUKABL1RETKDR
SCHEMBL16517899 0.76 CCNK (0.38) IKBKBCHUKKDRJAK2
SCHEMBL2319421 0.75 CDK5 (0.59) CDK9MAPTIKBKBCHUKABL1
SCHEMBL2318092 0.74 GSK3B (0.43) IKBKBCHUKABL1RETKDR
SCHEMBL2319909 0.74 GSK3B (0.36) IKBKBCHUKABL1RETKDR
SCHEMBL2322271 0.74 AURKB (0.35) CDK9IKBKBCHUKABL1RET
SCHEMBL2314653 0.74 GSK3B (0.44) CDK9IKBKBCHUKTGFBR1ABL1

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 CCNT1 743/4885CDK9 392/4885GAA 2251/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CCNT1 743/4885CDK9 392/4885GAA 2251/4885

“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.

Send feedback