SCHEMBL12848851

SCHEMBL12848851

O=C(Nc1cnc2c(n1)CCCC1=C2CN(c2nc(-c3ncco3)cs2)CC1)c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ AR P10275 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ KIF18A Q8NI77 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL12848445 0.84 MEN1 (0.38) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL12848449 0.75 RORC (0.36) IL2RAB9AMEN1KMT2AKDM4E
SCHEMBL12848741 0.71 HTR1F (0.38) RAB9AKDM4EALDH1A1MAPTNPC1
SCHEMBL13770699 0.70 MEN1 (0.43) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL1782584 0.68 SMN1; SMN2 (0.41) IL2RAB9AKDM4EALDH1A1MAPT
SCHEMBL12848457 0.67 IL2 (0.33) ADORA2ACYP2C19IL2FAAHRAB9A
SCHEMBL1779924 0.67 IL2 (0.41) IL2RAB9AMEN1KMT2AALDH1A1
SCHEMBL12848839 0.67 SLC27A1 (0.36) ADORA2AADORA2BADORA3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1781739 0.66 IL2 (0.41) IL2RAB9AMEN1KMT2AALDH1A1
SCHEMBL3830495 0.64 IL2 (0.43) IL2RAB9AMEN1KMT2ANPC1

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ADORA2A 445/4885ADORA2B 734/4885ADORA3 763/4885

“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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