SCHEMBL22480239

SCHEMBL22480239

CCN1CCN(c2nc(Nc3cccc(NC(=O)C#Cc4ccc(C)cc4)c3)c3ncn(CC)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 14/20 0.45
▸ PRKCA P17252 3/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
Hydrochloric Acid SCHEMBL29534067 0.99 CDK1 (0.44) CDK1PRKCANPC1EGFRERBB2
SCHEMBL22480240 0.94 SRC (0.45) CDK1PRKCANPC1EGFRCCNA2
Hydrochloric Acid SCHEMBL29533833 0.94 SRC (0.44) CDK1PRKCANPC1EGFRCCNA2
SCHEMBL6574741 0.80 CDK1 (0.67) CDK1PRKCANPC1EGFRCCNA2
SCHEMBL6574743 0.80 CDK1 (0.67) CDK1PRKCANPC1EGFRCCNA2
SCHEMBL6574902 0.74 CDK1 (0.71) CDK1PRKCAEGFRCDK2
SCHEMBL6574904 0.74 CDK1 (0.71) CDK1PRKCAEGFRCDK2
SCHEMBL6576169 0.74 CDK1 (0.71) CDK1PRKCANPC1EGFRLMNA
SCHEMBL6578444 0.74 CDK1 (0.71) CDK1PRKCANPC1EGFRLMNA
SCHEMBL6576950 0.74 CDK1 (0.71) CDK1PRKCAEGFRCDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152036-A1 COMPOUNDS FOR USES IN PHARMACOLOGICAL INDUCTION OF HBF FOR TREATMENT OF SICKLE CELL DISEASE AND ß-THALASSEMIA ACADEMIA SINICA (TW) 2022-05-19 — — US disclosed
WO-2020198367-A1 COMPOUNDS FOR USES IN PHARMACOLOGICAL INDUCTION OF HBF FOR TREATMENT OF SICKLE CELL DISEASE AND β-THALASSEMIA ACADEMIA SINICA (TW) 2020-10-01 — — WO 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 (1 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-20220152036-A1 COMPOUNDS FOR USES IN PHARMACOLOGICAL INDUCTION OF HBF FOR TREATMENT OF SICKLE CELL DISEASE AND ß-THALASSEMIA HBG1, HBG2, HBB CDK1 1915/4885PRKCA 844/4885NPC1 3760/4885

“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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