SCHEMBL10002795

SCHEMBL10002795

Cc1nc2c(cc1NC(=O)c1ccc(F)cc1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ P2RY14 Q15391 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL10003583 0.91 BRPF1 (0.49) BRPF1MAPTMEN1KMT2ANPC1
SCHEMBL10003380 0.90 KDM4E (0.49) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL10003457 0.88 KMT2A (0.38) BRPF1HTTSMN1; SMN2MAPTTHRB
SCHEMBL10003080 0.84 ALDH1A1 (0.42) SMN1; SMN2MAPTTHRBMEN1KMT2A
SCHEMBL10003256 0.82 BRPF1 (0.46) BRPF1HTTSMN1; SMN2MAPTMEN1
SCHEMBL10003487 0.81 LMNA (0.48) SMN1; SMN2MAPTTSHRKDM4ELMNA
SCHEMBL10003398 0.80 USP2 (0.41) SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL10003219 0.80 MAPT (0.43) BRPF1HTTSMN1; SMN2MAPTTHRB
SCHEMBL10004164 0.78 BRPF1 (0.47) BRPF1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10003117 0.77 LMNA (0.42) SMN1; SMN2MAPTTHRBMEN1KMT2A

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 BRPF1 1937/4885HTT 3635/4885SMN1; SMN2 3164/4885

“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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