SCHEMBL19086382

SCHEMBL19086382

COCCN(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.43
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGAT1 O75907 1/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BMP1 P13497 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL17572193 0.83 AAK1 (0.39) PTK2TMEM97SIGMAR1NPC1KMT2A
SCHEMBL2553564 0.81 PTK2 (0.44) PTK2TMEM97SIGMAR1NPC1ALDH1A1
SCHEMBL19112984 0.76 NPC1 (0.36) PTK2NPC1SLC6A4HPGDALDH1A1
SCHEMBL6453516 0.74 ADORA2A (0.47) NPC1KMT2AMEN1TP53HPGD
SCHEMBL17420936 0.72 SIRT2 (0.48) PTK2TMEM97SIGMAR1NPC1KMT2A
SCHEMBL8782664 0.72 ADORA2A (0.46) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL30201791 0.72 KDM4E (0.41) PTK2NPC1KMT2AMEN1TP53
SCHEMBL1920711 0.70 GBA1 (0.44) NPC1KMT2AMEN1TP53HPGD
SCHEMBL3991292 0.70 DGAT1 (0.42) PTK2TMEM97SIGMAR1NPC1KMT2A
SCHEMBL27906114 0.69 AAK1 (0.40) PTK2NPC1ALDH1A1L3MBTL1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190111-B1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2020-05-06 EP disclosed
US-9975893-B2 Pyrazolo[3,4-c]pyridine derivatives CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2018-05-22 US disclosed
US-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-10-12 US disclosed
EP-3190111-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-07-12 EP 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 (1 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-20170291896-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES F11, TFPI, F2 PTK2 1662/4885TMEM97 4879/4885SIGMAR1 4563/4885

“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.