SCHEMBL29548754

SCHEMBL29548754

Nc1nccc(-c2cccc3ccccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.60
CCNA2 P20248 3/20 0.60
CDK2 P24941 3/20 0.60
CDK9 P50750 3/20 0.60
GSK3B P49841 7/20 0.58
DYRK1A Q13627 6/20 0.58
CDK5 Q00535 5/20 0.58
CDK5R1 Q15078 5/20 0.58
CLK1 P49759 3/20 0.58
MAP3K14 Q99558 2/20 0.58
CDC7 O00311 1/20 0.55
PRKACA P17612 2/20 0.55
AURKA O14965 1/20 0.55
HSP90AA1 P07900 1/20 0.55
ADORA2A P29274 1/20 0.55
PDPK1 O15530 2/20 0.53
CCNA1 P78396 2/20 0.53
NFATC1 O95644 2/20 0.49
F12 P00748 1/20 0.48
PLAU P00749 1/20 0.48

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
SCHEMBL4738230 1.00 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9GSK3B
Hydrochloric Acid SCHEMBL5748840 0.98 CCNT1 (0.59) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL15901800 0.81 HTR2C (0.49) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL1914955 0.80 HSP90AA1 (0.59) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL30046927 0.79 HSP90AA1 (0.60) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL18130895 0.79 HSP90AA1 (0.60) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL5747667 0.79 DYRK1A (0.55) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL31452201 0.79 MAPT (0.43) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL17463149 0.79 ALDH1A1 (0.49) CCNT1CCNA2CDK2CDK9DYRK1A
SCHEMBL5786593 0.79 MAPT (0.43) CCNT1CCNA2CDK2CDK9GSK3B

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-20220267268-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2022-08-25 US disclosed
CN-114616224-A Novel tricyclic 5-HT2Antagonists 安娜玛有限公司 2022-06-10 CN disclosed
EP-3986865-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS AnaMar AB (SE) 2022-04-27 EP 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-20220267268-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS HTR2B, HTR2C, TPH2 CCNT1 1016/4885CCNA2 414/4885CDK2 459/4885

“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.