SCHEMBL21609990

SCHEMBL21609990

Cn1cc2c(NCc3ccc(Cn4cnc5c(NCc6cccnc6)nc(F)nc54)cc3)nc(Cl)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CDK1 P06493 3/20 0.44
▸ YTHDC1 Q96MU7 3/20 0.44
▸ CTSL P07711 7/20 0.44
▸ CCNK O75909 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ CCNE2 O96020 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40

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
SCHEMBL17628618 0.75 CDK1 (0.57) ADORA3ADORA1CDK1YTHDC1CTSL
SCHEMBL17450113 0.74 CDK1 (0.56) CDK1CCNE2CCNE1CDK2
SCHEMBL17450137 0.73 APP (0.58) ADORA3ADORA1CDK1
SCHEMBL17628574 0.72 CDK1 (0.76) ADORA3ADORA1CDK1YTHDC1CCNE2
SCHEMBL3306416 0.71 CDK2 (0.64) ADORA3ADORA1CDK1CTSLCCNK
SCHEMBL17450131 0.71 CTSL (0.72) CDK1YTHDC1CTSLCDK2HDAC1
SCHEMBL3299543 0.70 CDK2 (0.70) CDK1CCNE1CDK2
SCHEMBL20119336 0.69 HTT (0.52) ADORA3ADORA1CDK1YTHDC1CTSL
SCHEMBL3859252 0.68 CDK1 (0.78) CDK1CCNE1CDK2
SCHEMBL17802614 0.68 CTSL (0.75) CDK1YTHDC1CTSLCCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 — — 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 (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-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 ADORA3 855/4885ADORA1 910/4885CDK1 2522/4885

“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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