SCHEMBL21274329

SCHEMBL21274329

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(-c6nccn6C)cc5)CC4)nc32)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ TBK1 Q9UHD2 4/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ RET P07949 3/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ IKBKE Q14164 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ NUAK1 O60285 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL21274331 1.00 CDK9 (0.33) CDK9PIM1DGAT1EGFRTBK1
SCHEMBL21274298 0.84 CNR2 (0.34) CDK9PIM1DGAT1RET
SCHEMBL21274300 0.84 CNR2 (0.34) CDK9PIM1DGAT1RET
SCHEMBL22801995 0.83 MAPT (0.34) CDK9PIM1DGAT1FLT3AXL
SCHEMBL22801994 0.83 MAPT (0.34) CDK9PIM1DGAT1FLT3AXL
SCHEMBL21274070 0.81 ALDH1A1 (0.37) CDK9FLT3RETPIK3CDPRKAB2
SCHEMBL21274072 0.81 ALDH1A1 (0.37) CDK9FLT3RETPIK3CDPRKAB2
SCHEMBL21268737 0.80 MAPT (0.39) JAK2FLT3
SCHEMBL21274332 0.80 GPR119 (0.44) LRRK2
SCHEMBL21268734 0.80 MAPT (0.39) JAK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — 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 (1 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 CDK9 2020/4885PIM1 3878/4885DGAT1 2862/4885

“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