SCHEMBL21245682

SCHEMBL21245682

CN1CCOc2c(F)cc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.37
CDK4 P11802 3/20 0.37
CDK6 Q00534 3/20 0.37
PIK3CD O00329 2/20 0.36
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.35
PKLR P30613 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
AR P10275 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RIPK1 Q13546 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR6 P50406 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
SCHEMBL27259965 0.83 CSF1R (0.38) CSF1RCDK4CDK6PIK3CDPKM
SCHEMBL16404598 0.81 HTR6 (0.40) CSF1RCDK4CDK6PIK3CDPKM
SCHEMBL21245567 0.80 CDK4 (0.41) CSF1RCDK4CDK6PIK3CDALDH1A1
SCHEMBL21245641 0.80 CDK6 (0.43) CSF1RCDK4CDK6PIK3CD
SCHEMBL20719131 0.80 PTGER3 (0.40) CSF1RCDK4CDK6PIK3CDLMNA
SCHEMBL13036606 0.78 TDP1 (0.40) CSF1RCDK4CDK6PIK3CDPKM
SCHEMBL13075588 0.78 CDK4 (0.36) CSF1RCDK4CDK6PIK3CDPKM
SCHEMBL23407701 0.77 NOTUM (0.48) LMNACYP11B2RIPK1
SCHEMBL21245553 0.76 CDK4 (0.43) CSF1RCDK4CDK6PIK3CDLMNA
SCHEMBL27358451 0.76 NPC1 (0.45) CSF1RCDK4CDK6PIK3CDPKM

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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 CSF1R 3721/4885CDK4 2/4885CDK6 1/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CSF1R 4272/4885CDK4 1/4885CDK6 2/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CSF1R 4272/4885CDK4 1/4885CDK6 2/4885

“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.