SCHEMBL21977321

SCHEMBL21977321

O=c1[nH]cnc2c1nc(Br)n2Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.54
TPO P07202 1/20 0.54
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HPRT1 P00492 2/20 0.44
USP2 O75604 8/20 0.44
CYP1A2 P05177 8/20 0.44
CYP3A4 P08684 8/20 0.44
CYP2C9 P11712 7/20 0.44
CYP2C19 P33261 6/20 0.44
MAPK1 P28482 4/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2981548 0.87 ADORA2A (0.60) KMT2APOLBADORA2AADORA1HPRT1
SCHEMBL10506260 0.81 PNP (0.58) MPOTPOADORA2AADORA1HPRT1
SCHEMBL5732559 0.76 ADORA2A (0.76) ADORA2AADORA1USP2CYP1A2CYP3A4
SCHEMBL21977361 0.75 LMNA (0.69) MPOTPOKMT2AHPRT1LMNA
SCHEMBL3117339 0.74 ADORA2A (0.62) KMT2AADORA2AADORA1HPRT1TSHR
SCHEMBL9475856 0.74 HPGD (0.59) MPOTPOKMT2APOLBALDH1A1
SCHEMBL21977293 0.72 TP53 (0.42) POLBADORA2AADORA1USP2CYP1A2
SCHEMBL21977340 0.72 USP2 (0.38) MPOTPOKMT2APOLBADORA2A
SCHEMBL21977260 0.72 BRDT (0.41) MPOTPOKMT2APOLBALDH1A1
SCHEMBL21977308 0.72 ADORA2A (0.51) KMT2AADORA2AADORA1USP2CYP1A2

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 MPO 3785/4885TPO 4713/4885KMT2A 3485/4885
US-11986480-B2 Heterocyclic compound SQSTM1, BECN1, ATG7 MPO 3785/4885TPO 4713/4885KMT2A 3485/4885

“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.