SCHEMBL20008060

SCHEMBL20008060

NS(=O)(=O)NC[C@@H]1CC[C@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 2/20 0.54
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SLC29A1 Q99808 3/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA1 P30542 2/20 0.42

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
SCHEMBL12652607 0.88 NR2F2 (0.54) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL19999967 0.84 SLC29A1 (0.61) NR2F2SLC29A1CCNA2CDK2CDK5
SCHEMBL1795030 0.80 SLC29A1 (0.64) SLC29A1ADORA3
SCHEMBL12567124 0.79 ABL1 (0.49) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL12566819 0.79 NPC1 (0.58) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL12567152 0.77 DNPH1 (0.42) NR2F2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13467551 0.76 NR2F2 (0.58) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL13467417 0.75 NR2F2 (0.57) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL13467655 0.75 NPC1 (0.66) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1
SCHEMBL13467412 0.73 NR2F2 (0.55) NR2F2NPC1RAB9ASMN1; SMN2SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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 (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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 NR2F2 2928/4885NPC1 4418/4885RAB9A 2835/4885

“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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