SCHEMBL21986801

SCHEMBL21986801

Cc1ccc2nn(C3CCCCO3)nc2c1CCl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ABL1 P00519 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
SCHEMBL21986862 0.88 CYP4F2 (0.33) CYP4F2CYP4A11CYP2C19NPC1RAB9A
SCHEMBL21986817 0.88 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19NPC1RAB9A
SCHEMBL21986849 0.75 FGFR1 (0.34) CYP2C19NPC1RAB9AMEN1KMT2A
SCHEMBL21986745 0.75 ATR (0.33) CYP2C19TSHRATR
SCHEMBL21986866 0.75 CYP4F2 (0.37) CYP4F2CYP4A11NPC1RAB9AMEN1
SCHEMBL21986776 0.75 CYP4F2 (0.37) CYP4F2CYP4A11MEN1KMT2AATR
SCHEMBL21986700 0.74 ATR (0.36) CYP4F2CYP4A11NPC1RAB9AMEN1
SCHEMBL21986808 0.70 SLC6A3 (0.39) YTHDC1NPC1RAB9AMEN1KMT2A
SCHEMBL11911433 0.66 ABL1 (0.38) CYP4F2CYP4A11CYP2C19NPC1RAB9A
SCHEMBL21986741 0.65 CYP4F2 (0.37) CYP4F2CYP4A11NPC1RAB9AMEN1

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 3116/4885YTHDC1 4678/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885YTHDC1 4678/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885YTHDC1 4678/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885YTHDC1 4678/4885

“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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