SCHEMBL19284385

SCHEMBL19284385

COC(=O)c1ccc(C#N)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
MAPK8 P45983 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 3/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL19284366 0.78 MAPT (0.53) ARMAPTTHRBALDH1A1TDP1
SCHEMBL19301845 0.72 AR (0.47) ARMAPTTHRBALDH1A1TDP1
SCHEMBL3282562 0.72 AR (0.43) ARALDH1A1TDP1NPC1CYP11B1
SCHEMBL16653009 0.72 MAPK8 (0.47) ARMAPTTHRBALDH1A1TDP1
SCHEMBL3944634 0.71 TSHR (0.72) ARMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL7884326 0.70 KMT2A (0.72) MAPTTHRBKMT2A
SCHEMBL23566136 0.70 PGR (0.41) ARALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL182807 0.70 MAPK8 (0.57) ARMAPTTHRBALDH1A1TDP1
SCHEMBL23174424 0.70 TSHR (0.62) MAPTALDH1A1TDP1SMN1; SMN2GAA
SCHEMBL4225156 0.69 APP (0.45) ARMAPTTHRBALDH1A1SMN1; SMN2

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 9 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
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
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
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 AR 3760/4885MAPT 3883/4885THRB 3538/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 AR 3760/4885MAPT 3883/4885THRB 3538/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 AR 3760/4885MAPT 3883/4885THRB 3538/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 AR 3760/4885MAPT 3883/4885THRB 3538/4885

“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.