SCHEMBL3078049

SCHEMBL3078049

CCOC(=O)c1cnn2ccc(I)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 4/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
EPHB3 P54753 1/20 0.41

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
SCHEMBL3073456 0.86 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13139917 0.85 CA12 (0.50) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL16563455 0.85 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3074755 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3077982 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL24369481 0.84 HTT (0.53) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30935665 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22228625 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL26603916 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3084426 0.83 EPHB3 (0.54) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773335-B Compound serving as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-12-03 CN disclosed
CN-113773335-A Compound as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2021-12-10 CN disclosed
CN-112110938-B Compound as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2021-11-09 CN disclosed
CN-112110938-A Compound as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2020-12-22 CN disclosed
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 US disclosed
EP-2176260-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-21 EP disclosed
WO-2009008748-A1 PYRAZOLO[1,5-A]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-01-15 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 SMN1; SMN2 1172/4885ALDH1A1 4150/4885KDM4E 1511/4885
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD SMN1; SMN2 3214/4885ALDH1A1 588/4885KDM4E 2333/4885

“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.