SCHEMBL6431200

SCHEMBL6431200

Cc1cccc(NC(=O)Nc2ccc(-c3nn(-c4ccc(N5CCN(C)CC5)cc4C#N)c4ncnc(N)c34)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.52
▸ AURKA O14965 2/20 0.52
▸ IKBKE Q14164 1/20 0.52
▸ KDR P35968 13/20 0.49
▸ KIT P10721 4/20 0.49
▸ FLT3 P36888 4/20 0.49
▸ RIPK1 Q13546 5/20 0.45
▸ TEK Q02763 3/20 0.45
▸ LCK P06239 3/20 0.45
▸ SRC P12931 3/20 0.45
▸ PDGFRB P09619 4/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ RET P07949 3/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ SYK P43405 2/20 0.41
▸ BLK P51451 2/20 0.41
▸ MAP4K5 Q9Y4K4 2/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL5801327 0.83 AURKA (0.56) AURKBAURKAIKBKEKDRKIT
SCHEMBL6430744 0.82 EGFR (0.51) KDRRIPK1SRCPIK3CDABL1
SCHEMBL6430740 0.79 EGFR (0.43) KDRKITRIPK1TEKLCK
SCHEMBL7702164 0.79 AURKA (0.56) AURKBAURKAIKBKEKDRKIT
SCHEMBL6430399 0.78 LCK (0.72) AURKBAURKAIKBKEKDRTEK
SCHEMBL6430396 0.78 LCK (0.72) AURKBAURKAIKBKEKDRTEK
SCHEMBL15978893 0.78 RET (0.62) AURKBAURKAIKBKEKDRKIT
Acetic Acid SCHEMBL6435211 0.76 LCK (0.71) AURKBAURKAIKBKEKDRTEK
Acetic Acid SCHEMBL6435206 0.76 LCK (0.71) AURKBAURKAIKBKEKDRTEK
SCHEMBL5804211 0.76 AURKB (0.59) AURKBAURKAIKBKEKDRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN AURKB 1952/4885AURKA 2294/4885IKBKE 1020/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 AURKB 481/4885AURKA 443/4885IKBKE 2508/4885

“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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