SCHEMBL21281488

SCHEMBL21281488

CN[C@H]1C[C@H](n2ccc3ccc(N4CCN(c5ccc(-c6ccccn6)cc5)CC4)nc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.38
▸ CDK4 P11802 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SMO Q99835 5/20 0.36
▸ INSR P06213 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ KLF5 Q13887 1/20 0.34

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
SCHEMBL21268788 1.00 AURKA (0.38) AURKACDK4CNR2SMOINSR
SCHEMBL22802010 0.85 CNR2 (0.38) AURKACDK4CNR2SMOINSR
SCHEMBL21274300 0.82 CNR2 (0.34) CNR2SMONPC1MAPTRAB9A
SCHEMBL21274298 0.82 CNR2 (0.34) CNR2SMONPC1MAPTRAB9A
SCHEMBL21274501 0.78 GPR119 (0.42) AURKACDK4INSRCDK1PDGFRB
SCHEMBL21285512 0.78 KMT2A (0.43) NPC1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL21274200 0.78 GPR119 (0.42) AURKACDK4INSRCDK1PDGFRB
SCHEMBL22801948 0.78 GPR119 (0.42) AURKACDK4INSRCDK1PDGFRB
SCHEMBL21285548 0.78 PARP1 (0.35) AURKACDK4SMOINSRCDK1
SCHEMBL22801910 0.74 F10 (0.35) PIM1

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
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
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US 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
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP 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 AURKA 4236/4885CDK4 3939/4885CNR2 639/4885

“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