SCHEMBL3514701

SCHEMBL3514701

COc1cccc(-c2ccc3ncc(-c4cnc5[nH]ccc5c4)n3n2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.66
DYRK1A Q13627 5/20 0.62
DYRK3 O43781 1/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL3515340 0.91 FYN (0.55) FYNDYRK1ADYRK3CCNT1CDK9
SCHEMBL3515931 0.84 FYN (0.71) FYN
SCHEMBL3516230 0.82 FYN (0.58) FYNDYRK1ADYRK3CCNT1CDK9
SCHEMBL3516147 0.82 FYN (0.73) FYN
SCHEMBL857188 0.80 CDK8 (0.66) CCNT1CDK9CDK5DYRK1B
SCHEMBL18613455 0.79 FYN (1.00) FYNDYRK1A
SCHEMBL30521791 0.79 FYN (1.00) FYNDYRK1A
SCHEMBL16331517 0.78 FYN (0.77) FYNDYRK1ADYRK3CCNT1CDK9
SCHEMBL18613710 0.78 FYN (1.00) FYNDYRK1A
SCHEMBL20485689 0.78 FYN (0.72) FYNDYRK1A

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A FYN 425/4885DYRK1A 2632/4885DYRK3 2881/4885

“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.