SCHEMBL10003750

SCHEMBL10003750

CCOC(=O)c1c(OCC(F)(F)F)c2cc(Nc3ccccc3Cl)c(CC)nc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ P2RY12 Q9H244 3/20 0.38
▸ CDC25B P30305 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ TP53 P04637 2/20 0.35

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
SCHEMBL10003155 0.90 P2RX7 (0.37) JAK2JAK1TYK2JAK3MAPT
SCHEMBL10003159 0.90 CDC25B (0.44) MAPTTDP1CDC25BSMN1; SMN2TP53
SCHEMBL10003626 0.89 ALDH1A1 (0.46) MAPTALDH1A1P2RY12CDC25BSMN1; SMN2
SCHEMBL10003284 0.88 ALK (0.38) MAPTRAB9AALDH1A1FGFR1CDC25B
SCHEMBL10003616 0.87 CDC25B (0.43) MAPTNPC1RAB9AALDH1A1FGFR1
SCHEMBL10003336 0.85 SMN1; SMN2 (0.41) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL10003125 0.85 RAB9A (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10004038 0.84 NPSR1 (0.41) MAPTRAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL10002738 0.84 MAPT (0.43) MAPTNPC1RAB9AALDH1A1CDC25B
SCHEMBL10003693 0.84 CDC25B (0.41) MAPTCDC25BSMN1; SMN2TP53DHODH

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 JAK2 34/4885JAK1 280/4885TYK2 3014/4885

“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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