SCHEMBL19284370

SCHEMBL19284370

Cc1nc(-c2ccccc2)n(CC2CC2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ PTGER4 P35408 12/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19301744 0.86 MAPK1 (0.47) CYP1A2PTGER4TP53ALDH1A1KDM4E
SCHEMBL19301723 0.81 ABCC1 (0.43) PTGER4NOTUMABCC1BRD4ALDH1A1
SCHEMBL19301735 0.76 PDE6D (0.41) PTGER4ABCC1BRD4ALDH1A1KDM4E
SCHEMBL27895954 0.72 CYP1A2 (0.78) CYP1A2TP53MDM2ALDH1A1KDM4E
SCHEMBL29939456 0.69 CYP1A2 (0.54) CYP1A2MDM2ALDH1A1KDM4EL3MBTL1
SCHEMBL19301627 0.69 KDM4E (0.43) NOTUMABCC1ALDH1A1KDM4EHPGD
SCHEMBL28800178 0.69 ALDH1A1 (0.49) CYP1A2ALDH1A1KDM4E
SCHEMBL19284354 0.69 LMNA (0.45) PTGER4MAPK8ALDH1A1KDM4EHPGD
SCHEMBL19301796 0.69 PADI4 (0.42) PTGER4NOTUMALDH1A1KDM4EHSD17B10
SCHEMBL19301633 0.68 TDP1 (0.46) CYP1A2ALDH1A1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 — — US disclosed
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-03-17 — — US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 — — US disclosed
CN-109071497-B PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2021-10-22 — — CN disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 — — US disclosed
EP-3419969-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-01-02 — — EP disclosed
CN-109071497-A PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2018-12-21 — — CN 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 (4 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 CYP1A2 1796/4885PTGER4 2254/4885NOTUM 1117/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 CYP1A2 1796/4885PTGER4 2254/4885NOTUM 1117/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 CYP1A2 1796/4885PTGER4 2254/4885NOTUM 1117/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 CYP1A2 1796/4885PTGER4 2254/4885NOTUM 1117/4885

“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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