SCHEMBL25670583

SCHEMBL25670583

Cc1cc2ncnc(C(C)(C)C)c2cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
RET P07949 4/20 0.36
KIF5B P33176 3/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
MAPT P10636 2/20 0.32
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
G6PD P11413 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL25670587 0.93 KDR (0.36) KDRRETKIF5BFGFR1FLT1
SCHEMBL14090741 0.87 EGFR (0.38) KDRRETKIF5BMAPTKDM4E
SCHEMBL14289087 0.85 EGFR (0.40) MAPTALDH1A1EGFRCSF1R
SCHEMBL24067377 0.79 EGFR (0.49) KDRRETKIF5BEGFRBRAF
SCHEMBL16558017 0.76 KLF10 (0.37) KDM4EALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL14090728 0.76 EGFR (0.49) KDRRETKIF5BEGFRBRAF
SCHEMBL17921467 0.75 ENPP1 (0.44) KDRRETKIF5BFGFR1FLT1
SCHEMBL16168915 0.74
SCHEMBL25670582 0.74 EGFR (0.41) KDRRETKIF5BFGFR1FLT1
SCHEMBL25670588 0.74 PARP1 (0.41) KDRRETKIF5BALDH1A1CYP2C9

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 KDR 3345/4885RET 1988/4885KIF5B 3246/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 KDR 4673/4885RET 4531/4885KIF5B 4708/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 KDR 3345/4885RET 1988/4885KIF5B 3246/4885

“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.