SCHEMBL23566142

SCHEMBL23566142

Cc1nc(C(C)C)cn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HPGD P15428 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
IDO1 P14902 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BRD4 O60885 3/20 0.38
SOS1 Q07889 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HRH1 P35367 1/20 0.38
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10591648 0.87 KMT2A (0.40) TNFKMT2AHPGDBRD4SOS1
SCHEMBL10364902 0.87 TNF (0.41) TNFKMT2AHPGDCYP11B1CYP11B2
SCHEMBL10581641 0.79 BRD4 (0.51) TNFHPGDCYP11B1CYP11B2BRD4
SCHEMBL1045329 0.78 TLR8 (0.49) TNFKMT2AHPGDBRD4SOS1
Hydrochloric Acid SCHEMBL10695240 0.77 TLR8 (0.51) TNFKMT2AHPGDBRD4SOS1
SCHEMBL16828803 0.76 BRD4 (0.53) TNFHPGDBRD4SOS1P2RX7
SCHEMBL23566144 0.76 TNF (0.44) TNFHPGDBRD4SOS1P2RX7
SCHEMBL10591397 0.73 TNF (0.45) TNFHPGDBRD4KDM4EPOLB
SCHEMBL4734075 0.72 BRD4 (0.57) KMT2AHPGDBRD4P2RX7POLB
SCHEMBL1417492 0.72 ALDH1A1 (0.46) TNFHPGDBRD4SOS1P2RX7

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-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 TNF 3931/4885KMT2A 282/4885HSP90AA1 1133/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 TNF 3931/4885KMT2A 282/4885HSP90AA1 1133/4885

“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.