SCHEMBL19301735

SCHEMBL19301735

Cc1nc(-c2ccccc2)n(CC2CC2)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 2/20 0.41
▸ ABCC1 P33527 1/20 0.40
▸ KDM4E B2RXH2 8/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ HPGD P15428 6/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ PTGER4 P35408 4/20 0.36
▸ GLA P06280 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL19301723 0.82 ABCC1 (0.43) ABCC1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL19284370 0.76 CYP1A2 (0.48) ABCC1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL19301734 0.75 KDM4E (0.40) PDE6DABCC1KDM4EALDH1A1HSD17B10
SCHEMBL23565825 0.71 PDE10A (0.38) PDE6DALDH1A1MAPTMEN1RAB9A
SCHEMBL19301744 0.71 MAPK1 (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19301627 0.70 KDM4E (0.43) ABCC1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL19301724 0.67 PDE10A (0.43) ABCC1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL19301779 0.66 NOTUM (0.41) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19301633 0.66 TDP1 (0.46) PDE6DKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3018678 0.66 KDM4E (0.40) KDM4EALDH1A1HSD17B10MAPTMEN1

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-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
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 — — 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PDE6D 3391/4885ABCC1 2766/4885KDM4E 117/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PDE6D 3391/4885ABCC1 2766/4885KDM4E 117/4885

“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.

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