SCHEMBL20907985

SCHEMBL20907985

COc1cc(C=O)c(NC(=O)c2cn3cc(C(F)(F)F)ccc3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
PRKAA2 P54646 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LIPE Q05469 5/20 0.39
SORT1 Q99523 2/20 0.39
METTL3 Q86U44 1/20 0.38
MCHR1 Q99705 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK3 P27361 1/20 0.36

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
SCHEMBL20908466 0.76 POLB (0.41) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL15065075 0.74 ALDH1A1 (0.36) PIK3CAPRKAA2KDM4EALDH1A1HPGD
SCHEMBL30845761 0.72 MCHR1 (0.48) KDM4EALDH1A1HPGDMETTL3MCHR1
SCHEMBL30526292 0.68 KDM4E (0.42) KDM4EALDH1A1HPGDMETTL3MCHR1
SCHEMBL13791874 0.68 KDM4E (0.51) PIK3CAPRKAA2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3885254 0.67 KDM4E (0.50) PIK3CAPRKAA2KDM4EALDH1A1HPGD
SCHEMBL8342499 0.67 ATR (0.41) PIK3CAKDM4EALDH1A1NPC1MAPK3
SCHEMBL12723219 0.67 MEN1 (0.45) ALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL15066253 0.67 IRAK4 (0.46) MAPT
SCHEMBL30078125 0.67 IRAK4 (0.46) MAPT

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-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 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-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB PIK3CA 3340/4885PRKAA2 2066/4885KDM4E 1701/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB PIK3CA 3340/4885PRKAA2 2066/4885KDM4E 1701/4885

“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.