SCHEMBL30077967

SCHEMBL30077967

COc1cc(C=O)c(OCc2cccnc2-c2c(C)cnn2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CSF1R P07333 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ERN1 O75460 3/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL15088049 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16078308 0.89 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065134 0.88 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15066213 0.86 GRM5 (0.39) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065298 0.84 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30078153 0.84 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30077938 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15088067 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068406 0.82 CYP4F2 (0.40) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065163 0.82 SGMS2 (0.38) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19

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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885

“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.