SCHEMBL25670575

SCHEMBL25670575

Cc1ccc2c(C(C)(C)C)ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
PARP1 P09874 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KA3 P51812 1/20 0.42
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HTT P42858 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 5/20 0.35
CSF1R P07333 4/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL21849276 0.85 HTT (0.47) PARP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL4548618 0.81 KIF11 (0.36) PARP1MAPTKDRALDH1A1EGFR
SCHEMBL25670582 0.80 EGFR (0.41) HTTKDM4ELMNAKDRIRAK4
SCHEMBL25670631 0.80 EGFR (0.47) HTR1AHTTLMNAKDREGFR
SCHEMBL12775436 0.80 TRPA1 (0.40) HTTKDREGFRCSF1RMAP4K4
SCHEMBL24067388 0.80 CYP1A2 (0.46) HTTKDM4EMAPK1LMNASMN1; SMN2
SCHEMBL20047527 0.77 EGFR (0.36) HTTKDM4ELMNASMN1; SMN2MAPT
SCHEMBL25670615 0.77 EGFR (0.48) KDREGFRCSF1R
SCHEMBL12775275 0.77 EGFR (0.51) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL14289087 0.77 EGFR (0.40) HTTLMNASMN1; SMN2MAPTIRAK4

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 CHEK1 12/4885PARP1 172/4885PIM1 1255/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 CHEK1 1514/4885PARP1 1528/4885PIM1 2936/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CHEK1 12/4885PARP1 172/4885PIM1 1255/4885

“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.