Sugi Predict

Sugi Predict / Compounds / SCHEMBL3012863

SCHEMBL3012863

SCHEMBL3012863

O=C(Nc1ccc(Nc2cc(Cl)nn3ccnc23)cc1)C1=CC=CC(c2ccc(F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ AURKA O14965 3/20 0.35
▸ MET P08581 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NR3C1 P04150 3/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SYK P43405 1/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ KCNE1 P15382 1/20 0.32
▸ KCNQ1 P51787 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL3012272 0.84 CCNE1 (0.43) AURKARIPK1SYKKCNQ3KCNQ2
SCHEMBL3012265 0.84 CCNE1 (0.43) AURKARIPK1SYKKCNQ3KCNQ2
SCHEMBL3018125 0.76 AXL (0.52) AURKAMETRIPK1AHR
SCHEMBL3021848 0.73 TP53 (0.44) ALDH1A1SMN1; SMN2TP53AURKAMET
SCHEMBL3021493 0.69 SYK (0.48) AURKASYK
SCHEMBL3009479 0.69 SYK (0.39) SYK
SCHEMBL3018008 0.69 BRD4 (0.42) SYK
SCHEMBL21631151 0.65 IDO1 (0.54) AHRNR3C1
SCHEMBL3017950 0.62 KDM4E (0.45) ALDH1A1LMNASMN1; SMN2TP53RAB9A
SCHEMBL3021307 0.62 AXL (0.61) AURKAMET

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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 — — EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 ALDH1A1 3349/4885LMNA 4763/4885SMN1; SMN2 3786/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ALDH1A1 3952/4885LMNA 4313/4885SMN1; SMN2 4011/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ALDH1A1 4291/4885LMNA 4523/4885SMN1; SMN2 4020/4885

“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.