SCHEMBL17491503

SCHEMBL17491503

O=C(Cn1cccn1)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RHOA P61586 1/20 0.40
▸ KDR P35968 4/20 0.39
▸ EGFR P00533 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ IMPDH2 P12268 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL17491495 0.83 GSK3B (0.39) LMNARHOAKDREGFRFGFR1
SCHEMBL17491527 0.80 LMNA (0.46) LMNARHOAKDREGFRFGFR1
SCHEMBL17491488 0.80 EGFR (0.42) LMNARHOAKDREGFRFGFR1
SCHEMBL17491494 0.78 ALDH1A1 (0.46) LMNARHOAKDREGFRFGFR1
SCHEMBL17491394 0.77 ALDH1A1 (0.49) LMNARHOAKDREGFRFGFR1
SCHEMBL17506981 0.77 AAK1 (0.52) LMNARHOAKDREGFRFGFR1
SCHEMBL17491395 0.77 SMN1; SMN2 (0.52) LMNARHOAKDREGFRFGFR1
SCHEMBL17491450 0.77 IMPDH2 (0.46) LMNAKDREGFRFGFR1IMPDH2
SCHEMBL17491408 0.77 EGFR (0.43) LMNARHOAKDREGFRFGFR1
SCHEMBL17491415 0.76 BRAF (0.47) LMNARHOAKDREGFRFGFR1

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 7 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
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 LMNA 1584/4885POLB 4211/4885RHOA 2405/4885

“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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