SCHEMBL12848445

SCHEMBL12848445

O=C(Nc1cnc2c(n1)CCCC1=C2CN(c2nccs2)CC1)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RORC P51449 2/20 0.34
▸ SLC27A1 Q6PCB7 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1B P28222 1/20 0.32

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
SCHEMBL12848741 0.86 HTR1F (0.38) SLC27A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL12848851 0.84 ADORA2A (0.33) MEN1KMT2ARORCRAB9ANPC1
SCHEMBL12848903 0.83 TRPV1 (0.39) SLC27A1TRPV1HSD17B10HPGD
SCHEMBL12848839 0.82 SLC27A1 (0.36) SLC27A1ALDH1A1MAPTTRPV1HSD17B10
SCHEMBL12848449 0.81 RORC (0.36) MEN1KMT2ARORCRAB9ANPC1
SCHEMBL8234417 0.76 IL2 (0.42) MEN1KMT2ARAB9ANPC1TRPV1
SCHEMBL7920453 0.76 STIM1 (0.41) MEN1KMT2ARAB9ANPC1TRPV1
SCHEMBL12848912 0.76 SLC27A1 (0.36) MEN1SLC27A1RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL1782812 0.76 STIM1 (0.41) MEN1KMT2ARAB9ANPC1TRPV1
SCHEMBL13770699 0.75 MEN1 (0.43) MEN1KMT2ARORCRAB9ANPC1

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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 MEN1 4414/4885KMT2A 3424/4885RORC 28/4885

“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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