SCHEMBL6990660

SCHEMBL6990660

COc1ccc2c(c1)C(=O)C(=CN(C)C)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
CYP19A1 P11511 5/20 0.61
MAOA P21397 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ACHE P22303 2/20 0.58
MIF P14174 3/20 0.51
MAPT P10636 3/20 0.49
CYP26A1 O43174 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP11B2 P19099 2/20 0.49
METAP1 P53582 1/20 0.49

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
SCHEMBL17571252 1.00 MAOB (0.64) MAOBCYP19A1MAOAALDH1A1SMN1; SMN2
SCHEMBL6990658 1.00 MAOB (0.64) MAOBCYP19A1MAOAALDH1A1SMN1; SMN2
SCHEMBL29946409 0.90 MIF (0.63) CYP19A1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL7001016 0.90 MIF (0.63) CYP19A1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL30938680 0.90 MIF (0.63) CYP19A1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL7001015 0.90 MIF (0.63) CYP19A1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL6361474 0.82 MAOB (0.67) MAOBCYP19A1MAOAALDH1A1SMN1; SMN2
SCHEMBL7510755 0.82 MAOB (0.67) MAOBCYP19A1MAOAALDH1A1SMN1; SMN2
SCHEMBL6361472 0.82 MAOB (0.67) MAOBCYP19A1MAOAALDH1A1SMN1; SMN2
SCHEMBL7238871 0.81 KDM4E (0.46) MAOBCYP19A1ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6133257-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-17 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 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-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 MAOB 3950/4885CYP19A1 4286/4885MAOA 4159/4885
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK JAK2, JAK3, JAK1 MAOB 3950/4885CYP19A1 4286/4885MAOA 4159/4885

“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.