SCHEMBL20156052

SCHEMBL20156052

COC(=O)c1cn[nH]c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
AXL P30530 1/20 0.51
DCAF1 Q9Y4B6 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALPG P10696 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
TOP2A P11388 1/20 0.47
NR4A2 P43354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM5B Q9UGL1 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
SCHEMBL11890411 0.83 ALDH1A1 (0.57) TSHRSMN1; SMN2MAPTGAAALDH1A1
SCHEMBL1672584 0.81 TDP1 (0.63) DCAF1KDM4EKDM5BTDP1OPRM1
SCHEMBL20767374 0.78 DCAF1 (0.49) DCAF1KDM5BTDP1OPRM1OPRK1
SCHEMBL27849839 0.78 DCAF1 (0.56) DCAF1KDM5BTDP1
SCHEMBL27696872 0.76 HSP90AA1 (0.62) DCAF1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL5755243 0.75 ITK (0.46) TSHRSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL25375534 0.74 AXL (0.48) TSHRAXLMAPTGAAALDH1A1
SCHEMBL3949930 0.74 PIK3CD (0.53) TSHRAXLMAPTGAANR4A2
SCHEMBL3546318 0.73 KMT2A (0.59) TSHRDCAF1SMN1; SMN2MAPTGAA
Dimethyl Phthalate SCHEMBL3686830 0.73 TSHR (0.63) TSHRAXLMAPTGAAALDH1A1

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (2 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 TSHR 2137/4885AXL 343/4885DCAF1 4221/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 TSHR 2137/4885AXL 343/4885DCAF1 4221/4885

“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.