SCHEMBL15401762

SCHEMBL15401762

Cc1ccc(S(=O)(=O)n2cc(Br)c3c(N4CCC[C@H](C)C4)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FFAR2 O15552 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL15402331 1.00 LRRK2 (0.47) LRRK2NPC1GRM4RAB9ARECQL
SCHEMBL15401147 0.83 NPC1 (0.40) LRRK2NPC1GRM4RAB9ARECQL
SCHEMBL18968023 0.80 NPC1 (0.40) LRRK2NPC1GRM4RAB9ARECQL
SCHEMBL15402100 0.79 LRRK2 (0.59) LRRK2MAPTTP53JAK3KDM4E
SCHEMBL29247649 0.78 GPR119 (0.45) —
SCHEMBL29247644 0.78 GPR119 (0.45) —
SCHEMBL30372808 0.78 GPR119 (0.45) —
SCHEMBL3533481 0.76 SMN1; SMN2 (0.46) LRRK2NPC1RAB9ARECQLNPSR1
SCHEMBL4216007 0.76 AKT1 (0.40) LRRK2FFAR2TP53
SCHEMBL3648671 0.76 AKT1 (0.40) LRRK2FFAR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 — — EP disclosed
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 — — EP disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 — — US disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 — — US disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 — — US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 — — US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 — — US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 — — US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 — — US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 — — US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 — — US disclosed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 — — US 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-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 LRRK2 1/4885NPC1 3137/4885GRM4 1600/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 LRRK2 1/4885NPC1 3137/4885GRM4 1600/4885

“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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