SCHEMBL23988494

SCHEMBL23988494

COc1ccnc(CC(O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
WDR5 P61964 3/20 0.45
ENGASE Q8NFI3 3/20 0.45
DDAH1 O94760 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
HPGD P15428 2/20 0.45
TBXA2R P21731 2/20 0.45
NPY1R P25929 2/20 0.45

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
SCHEMBL23988412 0.89 CYP2C9 (0.47) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988357 0.88 KMT2A (0.61) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988262 0.86 CYP2C9 (0.63) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988413 0.86 ATP4A (0.43) CYP2C9KMT2AMAPTCYP3A4CYP2C19
SCHEMBL23988355 0.83 ATP4A (0.38) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988398 0.81 ATP4A (0.54) CYP2C9KMT2AMAPTCYP3A4MEN1
SCHEMBL23988273 0.81 KMT2A (0.58) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988445 0.81 ATP4A (0.47) CYP2C9KMT2AMAPTCYP3A4CYP2D6
SCHEMBL23988399 0.79 KMT2A (0.44) CYP2C9KMT2AMAPTCYP2C19MEN1
SCHEMBL23988372 0.75 CYP2C9 (0.48) CYP2C9KMT2AMAPTCYP3A4CYP2D6

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-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885KMT2A 3380/4885MAPT 3744/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885KMT2A 3380/4885MAPT 3744/4885

“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.