SCHEMBL21986859

SCHEMBL21986859

Cc1ccc2[nH]cnc2c1CN=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ DPP4 P27487 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ ACP1 P24666 1/20 0.34
▸ LMNA P02545 2/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ EGLN1 Q9GZT9 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
SCHEMBL24338045 0.76 ALDH1A1 (0.47) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL21986742 0.74 ALDH1A1 (0.50) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL21986813 0.74 DPP4 (0.58) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL21986783 0.71 IDO1 (0.37) —
SCHEMBL3855175 0.68 MEN1 (0.42) ALDH1A1PKMDPP4LMNAMEN1
SCHEMBL28345433 0.68 CYP1A2 (0.33) ALDH1A1KDM4E
SCHEMBL18405893 0.66 LMNA (0.38) ALDH1A1PKMDPP4LMNAPDE2A
SCHEMBL26290092 0.66 NOS2 (0.36) ALDH1A1KDM4E
SCHEMBL4607622 0.65 LMNA (0.40) ALDH1A1PKMDPP4KDM4EDPP8
SCHEMBL18964905 0.65 LMNA (0.40) ALDH1A1PKMDPP4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885PKM 3693/4885DPP4 3639/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885PKM 3693/4885DPP4 3639/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885PKM 3693/4885DPP4 3639/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885PKM 3693/4885DPP4 3639/4885

“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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