SCHEMBL10003510

SCHEMBL10003510

CCOC(=O)c1c(OCC(F)(F)F)c2cc(NC(=O)c3cocn3)c(CC)nc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ SRPK1 Q96SB4 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ATF1 P18846 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MGAT2 Q10469 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32

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
SCHEMBL10004401 0.91 SRPK1 (0.37) SRPK1NFKB1NTRK1MGAT2ITK
SCHEMBL10004404 0.88 PTK2 (0.42) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL10003125 0.87 RAB9A (0.42) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL10003053 0.86 NPC1 (0.36) SMN1; SMN2NPC1RAB9ATSHRATF1
SCHEMBL10002933 0.86 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL10003336 0.85 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ATSHRNFKB1
SCHEMBL10003062 0.85 LMNA (0.46) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL10003229 0.84 RAB9A (0.46) SMN1; SMN2NPC1RAB9ATSHRPOLB
SCHEMBL10003799 0.83 NPC1 (0.43) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL10003764 0.83 NPC1 (0.41) SMN1; SMN2NPC1RAB9ATSHRATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMN1; SMN2 3164/4885NPC1 1300/4885RAB9A 1389/4885

“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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