Purine

Purine

SCHEMBL17443010

Cn1cnc2c(NCc3cccnc3)nc(F)nc21.c1ncc2[nH]cnc2n1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 10/20 0.43
▸ CDK2 P24941 10/20 0.42
▸ CDK9 P50750 7/20 0.42
▸ MAPK1 P28482 7/20 0.41
▸ CDK4 P11802 6/20 0.41
▸ CDK7 P50613 6/20 0.41
▸ CCNE1 P24864 6/20 0.41
▸ CCNH P51946 5/20 0.41
▸ CCNB1 P14635 5/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 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
Purine SCHEMBL17443008 0.87 CDK1 (0.46) CDK1CDK2CDK9MAPK1CDK4
SCHEMBL17450113 0.86 CDK1 (0.56) CDK1CDK2CDK9MAPK1CDK4
Purine SCHEMBL8018841 0.80 CDK1 (0.70) CDK1CDK2MAPK1CCNE1CCNB1
SCHEMBL17442999 0.75 CDK1 (0.73) CDK1CDK2MAPK1CCNE1CCNB1
SCHEMBL17628574 0.74 CDK1 (0.76) CDK1CDK2CDK9MAPK1CDK4
SCHEMBL3299543 0.74 CDK2 (0.70) CDK1CDK2CDK9MAPK1CDK4
SCHEMBL3302002 0.73 MEN1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3302007 0.72 CDK1 (0.54) CDK1CDK2MAPK1CDK7CDK5
SCHEMBL3306416 0.71 CDK2 (0.64) CDK1CDK2CDK9CDK7CCNK
Purine SCHEMBL8023285 0.71 CYP1A2 (0.52) CDK1CDK2MAPK1CDK7CDK5

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-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 — — US disclosed
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX UNITED STATES DEPARTMENT OF ENERGY 2018-09-13 — — US disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 — — 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 (2 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 CDK1 2522/4885CDK2 3061/4885CDK9 3685/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 CDK1 2522/4885CDK2 3061/4885CDK9 3685/4885

“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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