SCHEMBL21986862

SCHEMBL21986862

Cc1ccc2nn(C3CCCCO3)nc2c1CN

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ PDE8B O95263 1/20 0.30
▸ ATR Q13535 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
SCHEMBL21986801 0.88 CYP4F2 (0.33) CYP4F2CYP4A11CYP2C19NPC1RAB9A
SCHEMBL21986817 0.88 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19NPC1RAB9A
SCHEMBL21986745 0.85 ATR (0.33) GAACYP2C19ATR
SCHEMBL21986849 0.75 FGFR1 (0.34) GAACYP2C19NPC1RAB9AMEN1
SCHEMBL21986741 0.75 CYP4F2 (0.37) CYP4F2CYP4A11GAANPC1RAB9A
SCHEMBL21986747 0.75 PDE8B (0.38) CYP4F2CYP4A11GAAPDE8BATR
SCHEMBL21986700 0.74 ATR (0.36) CYP4F2CYP4A11GAANPC1RAB9A
SCHEMBL21986808 0.68 SLC6A3 (0.39) NPC1RAB9AMEN1KMT2AABL1
SCHEMBL21986791 0.67 ALDH1A1 (0.36) GAAMEN1KMT2AATR
SCHEMBL11911433 0.66 ABL1 (0.38) CYP4F2CYP4A11CYP2C19NPC1RAB9A

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 CYP4F2 4162/4885CYP4A11 3116/4885GAA 4568/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885GAA 4568/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885GAA 4568/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885GAA 4568/4885

“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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