SCHEMBL3787782

SCHEMBL3787782

COc1c(N)cccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.47
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38

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
SCHEMBL358326 0.79 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1TSHR
SCHEMBL20983161 0.79 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL30271913 0.79 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL6651220 0.79 ENPP2 (0.47) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL3792278 0.79 ALDH1A1 (0.46) ENPP2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3790840 0.79 ENPP2 (0.34) ENPP2ALDH1A1TSHRKDM4ECYP3A4
SCHEMBL2944532 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL29458390 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL3789845 0.77 CA1 (0.44) ENPP2ALDH1A1TSHRKDM4EMAPT
Hydrochloric Acid SCHEMBL4332744 0.77 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283928-A Pyridazine compound, preparation method and application thereof 艾立康药业股份有限公司 2023-06-23 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885ORAI1 2434/4885ORAI2 393/4885

“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.