SCHEMBL21589413

SCHEMBL21589413

O=C(CCl)Nc1nc2c(F)cc(F)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.65
▸ RAB9A P51151 8/20 0.64
▸ MAPT P10636 6/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ AGTR1 P30556 1/20 0.60
▸ OPRK1 P41145 1/20 0.60
▸ TDP1 Q9NUW8 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ GAA P10253 4/20 0.53
▸ TP53 P04637 1/20 0.52
▸ TNF P01375 2/20 0.51
▸ NOD2 Q9HC29 2/20 0.51
▸ NOD1 Q9Y239 2/20 0.51
▸ CRHBP P24387 1/20 0.51

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
SCHEMBL3792415 0.82 RAB9A (0.70) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3044982 0.81 RAB9A (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31504583 0.81 RAB9A (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27004512 0.81 RAB9A (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11268232 0.78 NPC1 (0.53) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL17251987 0.78 PDPK1 (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4921505 0.77 NPC1 (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3049281 0.76 LMNA (0.77) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL16919783 0.76 RAB9A (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27004472 0.75 RAB9A (0.56) NPC1RAB9AMAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 — — US disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 — — EP disclosed
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2022-10-20 — — US disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — WO 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 (2 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-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B NPC1 3757/4885RAB9A 1085/4885MAPT 4587/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B NPC1 3757/4885RAB9A 1085/4885MAPT 4587/4885

“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.

Send feedback