SCHEMBL22958864

SCHEMBL22958864

CCCCCCC(C)(CCCC)c1nc[nH]c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.33
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PAK1 Q13153 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ XDH P47989 3/20 0.30
▸ GABRR1 P24046 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL21718631 0.98 ADORA2B (0.33) ADORA2BCDK1CCNB1CNR2HRH2
SCHEMBL21718617 0.81 ADORA2B (0.33) ADORA2BCDK1CCNB1PAK1HTT
SCHEMBL21719836 0.81 HPGD (0.37) ADORA2BCDK1CCNB1PAK1HTT
SCHEMBL21719658 0.81 ADORA2B (0.33) ADORA2BCDK1CCNB1PAK1HTT
SCHEMBL21719822 0.81 ADORA2B (0.33) ADORA2BCDK1CCNB1PAK1HTT
SCHEMBL25873317 0.75 HTT (0.51) CDK1CCNB1PAK1HTTNCOA1
SCHEMBL21718571 0.69 GPR84 (0.36) CNR2HTTCNR1
SCHEMBL19186683 0.69 CYP19A1 (0.36) SMN1; SMN2
SCHEMBL23431976 0.69 HRH3 (0.43) HRH4HRH3
SCHEMBL21720048 0.69 CNR2 (0.33) CNR2CNR1

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-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 — — US disclosed
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ALLCRON PHARMA INC. (US) 2023-07-11 — — US disclosed
US-20210040104-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2021-02-11 — — 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-20210040104-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 ADORA2B 4032/4885CDK1 286/4885CCNB1 686/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 ADORA2B 4032/4885CDK1 286/4885CCNB1 686/4885
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ABL1, MCL1, ABL2 ADORA2B 3792/4885CDK1 228/4885CCNB1 647/4885

“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