SCHEMBL23767757

SCHEMBL23767757

C/N=C/c1cc2cnc(Nc3ccc(N4CCCNCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.68
CDK1 P06493 1/20 0.68
CDK4 P11802 19/20 0.67
CCND1 P24385 17/20 0.67
CCND3 P30281 10/20 0.67
CCND2 P30279 9/20 0.67
CCNA2 P20248 7/20 0.67
CCNA1 P78396 4/20 0.67
FGFR1 P11362 6/20 0.66
FGFR2 P21802 6/20 0.66
FGFR4 P22455 6/20 0.66
FGFR3 P22607 6/20 0.66
CDK6 Q00534 3/20 0.66
GAK O14976 1/20 0.64
CCNT1 O60563 1/20 0.64
FECH P22830 1/20 0.64
CDK9 P50750 1/20 0.64
CDK16 Q00536 1/20 0.64
MAP3K1 Q13233 1/20 0.64
CAMK2G Q13555 1/20 0.64

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
SCHEMBL19055321 0.97 CDK4 (0.70) CDK2CDK4CCND1CCND3CCND2
SCHEMBL19980555 0.86 CDK4 (0.73) CDK2CDK4CCND1CCND3CCND2
SCHEMBL1990685 0.82 CDK2 (0.73) CDK2CDK1CDK4CCND1CCND3
SCHEMBL1993460 0.81 CDK2 (1.00) CDK2CDK1CDK4CCND1CCND3
SCHEMBL25005415 0.80 CDK4 (0.73) CDK2CDK1CDK4CCND1CCND3
SCHEMBL6222296 0.80 CDK4 (1.00) CDK2CDK4CCND1CCND3CCND2
SCHEMBL23837859 0.80 CDK4 (0.83) CDK2CDK1CDK4CCND1CCND3
SCHEMBL20677024 0.80 CDK4 (1.00) CDK2CDK4CCND1CCND3CCND2
Hydrochloric Acid SCHEMBL4446125 0.80 CDK4 (1.00) CDK2CDK4CCND1CCND3CCND2
Hydrochloric Acid SCHEMBL29507461 0.80 CDK4 (1.00) CDK2CDK4CCND1CCND3CCND2

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-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2021-08-19 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-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885

“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.