SCHEMBL24067419

SCHEMBL24067419

COc1ccc2c(C(C)(C)C)ncnc2c1-n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ CGAS Q8N884 1/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PDPK1 O15530 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MCHR1 Q99705 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
SCHEMBL25670635 0.84 CYP3A4 (0.37) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20813842 0.82 CYP1A2 (0.42) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25671290 0.79 CYP3A4 (0.39) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24067418 0.78 NOTUM (0.35) HSD17B10ALDH1A1KDM4EHPGDCYP19A1
SCHEMBL24067504 0.78 MAOA (0.35) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12775446 0.73 PDE1B (0.51) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24067423 0.72 KDM4E (0.40) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31502050 0.70 ENPP1 (0.67) —
SCHEMBL24015442 0.70 ENPP1 (0.67) —
SCHEMBL25670576 0.70 HTR1A (0.46) HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — US disclosed
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — US disclosed
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
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-12-02 — — 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 (5 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 HSD17B10 3715/4885CYP1A2 4507/4885CYP3A4 4454/4885
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 HSD17B10 3715/4885CYP1A2 4507/4885CYP3A4 4454/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 HSD17B10 3317/4885CYP1A2 4654/4885CYP3A4 4354/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 HSD17B10 3715/4885CYP1A2 4507/4885CYP3A4 4454/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 HSD17B10 3715/4885CYP1A2 4507/4885CYP3A4 4454/4885

“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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