SCHEMBL18341900

SCHEMBL18341900

Cc1cc([N+](=O)[O-])c(N)cc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.59
SIRT6 Q8N6T7 3/20 0.59
ALDH1A1 P00352 6/20 0.54
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL12212055 0.88 MAPT (0.62) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL10126836 0.86 MAPT (0.54) MAPTSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL5949625 0.85 MAPT (0.53) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL21001151 0.84 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL3925665 0.84 MAPT (0.71) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL29164357 0.84 MAPT (0.58) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL22031656 0.82 MAPT (0.56) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL22028444 0.80 SIRT6 (0.61) MAPTSIRT6ALDH1A1LMNAKMT2A
SCHEMBL3937215 0.80 MAPT (0.72) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL18341999 0.79 ADRA2C (0.53) MAPTALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214287-B HPK1 inhibitors and methods of use thereof 大学健康网络 2023-10-20 CN disclosed
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 US disclosed
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 US disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 EP disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 EP disclosed
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2020-06-18 US disclosed
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2020-06-18 US disclosed
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-06-28 US disclosed
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-06-28 US disclosed
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-06-28 US disclosed
EP-3322711-A1 HPK1 INHIBITORS AND METHODS OF USING SAME University Health Network (CA) 2018-05-23 EP disclosed
WO-2016205942-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2016-12-29 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-11059832-B2 HPK1 inhibitors and methods of using same PDXK, PDK3, PDK2 MAPT 3682/4885SIRT6 2166/4885ALDH1A1 2442/4885
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 MAPT 3682/4885SIRT6 2166/4885ALDH1A1 2442/4885
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 MAPT 3802/4885SIRT6 2248/4885ALDH1A1 2458/4885
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 MAPT 3682/4885SIRT6 2166/4885ALDH1A1 2442/4885

“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.