SCHEMBL19974300

SCHEMBL19974300

O=C(O)Nc1ncc(-c2cccnc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.60
GSTO1 P78417 1/20 0.56
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK5 Q00535 1/20 0.55
SCD O00767 1/20 0.55
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
ABL1 P00519 3/20 0.53
PDGFRB P09619 3/20 0.53
ACP1 P24666 1/20 0.52

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
SCHEMBL6285020 0.81 KDR (0.67) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL25682851 0.78 FFAR2 (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12909537 0.78 KDR (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL2722739 0.78 MKNK1 (0.61) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4951239 0.77 CCNE1 (0.53) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL5183715 0.77 KDR (0.49) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL19981588 0.77 LMNA (0.55) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL30271554 0.77 LMNA (0.55) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL25321609 0.77 ABL1 (0.64) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL6737468 0.76 MKNK1 (0.59) KDRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
EP-3512602-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF Pharmaceuticals (CH) 2019-07-24 EP disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO 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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 KDR 4167/4885GSTO1 811/4885CCNE1 1828/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 KDR 4167/4885GSTO1 811/4885CCNE1 1828/4885

“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.