SCHEMBL17491512

SCHEMBL17491512

O=C(Nc1cc(-c2cnco2)cc(C(F)(F)F)n1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CCR9 P51686 1/20 0.42

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
SCHEMBL17491404 0.80 MEN1 (0.61) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL17491418 0.77 DYRK1A (0.56) —
SCHEMBL22983284 0.75 NPC1 (0.78) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL17491420 0.70 NPC1 (0.65) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL3476295 0.68 TSHR (0.67) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL18048931 0.66 LMNA (0.64) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL17801185 0.66 KCNMA1 (0.55) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28402004 0.66 LMNA (0.57) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL17803414 0.66 ABCB1 (0.53) TSHRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30153285 0.66 LMNA (0.57) TSHRMEN1KMT2ANPC1SMN1; SMN2

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 TSHR 3983/4885MEN1 125/4885KMT2A 366/4885

“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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