SCHEMBL17730705

SCHEMBL17730705

Nc1[nH]ncc1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 4/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL18927468 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL2700303 0.82 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRTDP1SLC6A2
Hydrochloric Acid SCHEMBL2700297 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL18529536 0.76 PLK4 (0.55) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL24965965 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1SLC6A2
SCHEMBL24966566 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TDP1SLC6A2
SCHEMBL50441 0.75 ALDH1A1 (0.89) ALDH1A1KMT2ATSHRTDP1SLC6A2
SCHEMBL29388715 0.75 ALDH1A1 (0.89) ALDH1A1KMT2ATSHRTDP1SLC6A2
SCHEMBL2701264 0.75 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRTDP1SLC6A2
SCHEMBL23812437 0.74 ALDH1A1 (0.69) ALDH1A1KMT2ATSHRTDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF ANGEX PHARMACEUTICAL, INC. 2020-12-10 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 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 (3 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-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF MAP3K20, PNCK, CDC42BPG ALDH1A1 4711/4885KMT2A 2625/4885MEN1 2324/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 ALDH1A1 404/4885KMT2A 3881/4885MEN1 1501/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 ALDH1A1 404/4885KMT2A 3881/4885MEN1 1501/4885

“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.