SCHEMBL17037519

SCHEMBL17037519

COc1ncc(-c2ccc3c(c2)c(C(C)=O)cn3CC(C)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.41
▸ PKM P14618 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL29545109 0.92 CFD (0.41) CFDPKMFTOP2RX3SMN1; SMN2
SCHEMBL17024799 0.92 CFD (0.41) CFDPKMFTOP2RX3SMN1; SMN2
SCHEMBL29545307 0.87 PKM (0.39) CFDPKMFTOP2RX3SMN1; SMN2
SCHEMBL17024802 0.87 PKM (0.39) CFDPKMFTOP2RX3SMN1; SMN2
SCHEMBL18555261 0.79 CFD (0.47) CFDSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL29545967 0.79 CFD (0.47) CFDSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL18591169 0.78 ICMT (0.48) CFD
SCHEMBL25282966 0.76 CFD (0.44) CFDPKMSMN1; SMN2KMT2ANR2F2
SCHEMBL21749330 0.75 NR4A2 (0.37) FTOP2RX3DYRK1B
SCHEMBL17037526 0.75 CFD (0.43) CFDSMN1; SMN2KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 — — US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 — — 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-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CFD 2/4885PKM 4613/4885FTO 4773/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CFD 1/4885PKM 4490/4885FTO 4752/4885

“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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