SCHEMBL21267237

SCHEMBL21267237

CC(C)c1ccc(N2CCC(N(C)C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SOS1 Q07889 5/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ EML4 Q9HC35 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ TIPARP Q7Z3E1 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 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
SCHEMBL12127781 0.85 PIK3CD (0.41) CSF1RCDK4CDK6IRAK4HTR2A
SCHEMBL21267235 0.83 IRAK4 (0.34) CSF1RCDK4CDK6SOS1IRAK4
SCHEMBL12015802 0.83 NOTUM (0.48) PDE3BPDE3ANOTUM
SCHEMBL20374410 0.82 HSD11B1 (0.43) CSF1RCDK4CDK6HSD11B1SOS1
SCHEMBL21266977 0.82 IRAK4 (0.38) CSF1RCDK4CDK6IRAK4HTR2A
SCHEMBL21267233 0.82 ALDH1A1 (0.43) HSD11B1IRAK4HTR2AHTR2C
SCHEMBL20884898 0.82 IRAK4 (0.38) IRAK4HTR2AHTR2C
SCHEMBL25085643 0.81 IRAK4 (0.38) CSF1RCDK4CDK6IRAK4HTR2A
SCHEMBL20374353 0.81 ALDH1A1 (0.49) CSF1RCDK4CDK6HSD11B1CYP2C9
SCHEMBL12015794 0.80 ASIC3 (0.50) CDK4HSD11B1PDE3BPDE3A

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-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
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.

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