SCHEMBL17506981

SCHEMBL17506981

O=C(CC1CC1)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.52
▸ RHOA P61586 2/20 0.45
▸ RORC P51449 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ DYRK1A Q13627 6/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GSK3B P49841 4/20 0.39
▸ WNT1 P04628 2/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PORCN Q9H237 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL17491488 0.85 EGFR (0.42) AAK1RHOAEGFRFGFR1KDR
SCHEMBL17491438 0.84 RHOA (0.55) RHOARHOCEGFRFGFR1KDR
SCHEMBL17491527 0.83 LMNA (0.46) AAK1RHOAEGFRFGFR1KDR
SCHEMBL17491494 0.83 ALDH1A1 (0.46) AAK1RHOAEGFRFGFR1KDR
SCHEMBL17491403 0.82 RHOA (0.58) RHOARHOCDYRK1ACLK2LMNA
SCHEMBL17491529 0.82 RHOA (0.58) RHOARHOCDYRK1ACLK2GSK3B
SCHEMBL17491394 0.82 ALDH1A1 (0.49) AAK1RHOAEGFRFGFR1KDR
SCHEMBL17491395 0.82 SMN1; SMN2 (0.52) AAK1RHOAEGFRFGFR1KDR
SCHEMBL17491506 0.81 RHOA (0.60) RHOADYRK1ACLK2GSK3BWNT1
SCHEMBL17491522 0.81 DYRK1A (0.53) RHOARHOCEGFRFGFR1KDR

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-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 AAK1 4342/4885RHOA 2405/4885RORC 329/4885

“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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