SCHEMBL21977293

SCHEMBL21977293

Cn1c(N)nc2c(nc(Br)n2Cc2ccc(F)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
GFER P55789 1/20 0.40
BRDT Q58F21 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 5/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22040454 0.86 CDK9 (0.46) TP53USP2CYP1A2CYP3A4CYP2C9
SCHEMBL21977289 0.81 CYP1A2 (0.38) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21977291 0.78 TP53 (0.49) TP53NPSR1HTTSMN1; SMN2LMNA
SCHEMBL10506260 0.77 PNP (0.58) ADORA2AADORA1TYMS
SCHEMBL21977308 0.76 ADORA2A (0.51) TP53USP2CYP1A2CYP3A4CYP2C9
SCHEMBL21977340 0.73 USP2 (0.38) TP53USP2CYP1A2CYP3A4CYP2C9
SCHEMBL21977321 0.72 MPO (0.54) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5732559 0.72 ADORA2A (0.76) USP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21396498 0.70 ADORA2A (0.48) USP2NPSR1SMN1; SMN2LMNAADORA2A
SCHEMBL7205658 0.69 TLR7 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11986480-B2 Heterocyclic compound TOHOKU UNIVERSITY (JP) 2024-05-21 US disclosed
US-20200163970-A1 HETEROCYCLIC COMPOUND TOHOKU UNIVERSITY (JP) 2020-05-28 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 (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-20200163970-A1 HETEROCYCLIC COMPOUND SQSTM1, BECN1, ATG7 TP53 157/4885USP2 2002/4885CYP1A2 4831/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 TP53 157/4885USP2 2002/4885CYP1A2 4831/4885

“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.