SCHEMBL25670635

SCHEMBL25670635

Cc1ccc2c(C(C)(C)C)ncnc2c1-n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.37
▸ CYP1A2 P05177 10/20 0.37
▸ CYP2D6 P10635 10/20 0.37
▸ CYP2C19 P33261 10/20 0.37
▸ LMNA P02545 8/20 0.37
▸ MAPT P10636 6/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ HSD17B10 Q99714 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ ALOX15 P16050 4/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 2/20 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
SCHEMBL24067419 0.84 HSD17B10 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL25671290 0.82 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL25670633 0.76 NOTUM (0.36) CYP19A1
SCHEMBL24067420 0.72 NCOA3 (0.45) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL25670632 0.69 LMNA (0.40) LMNAMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL25670579 0.67 PDE5A (0.36) —
SCHEMBL7649005 0.66 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL20813842 0.65 CYP1A2 (0.42) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL28521741 0.65 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL24067418 0.63 NOTUM (0.35) HSD17B10ALDH1A1KDM4EHPGDCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 — — US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 — — 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 (3 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CYP3A4 4454/4885CYP1A2 4507/4885CYP2D6 4382/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 CYP3A4 4354/4885CYP1A2 4654/4885CYP2D6 4583/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CYP3A4 4454/4885CYP1A2 4507/4885CYP2D6 4382/4885

“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.

Send feedback