SCHEMBL22070173

SCHEMBL22070173

Cn1cc(C(C)(C)C(C#N)NC(CO)c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RIPK1 Q13546 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HAT1 O14929 2/20 0.32
EP300 Q09472 2/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL20738926 1.00 IMPDH2 (0.36) IMPDH2GLAMEN1KMT2ARIPK1
SCHEMBL31026915 1.00 IMPDH2 (0.36) IMPDH2GLAMEN1KMT2ARIPK1
SCHEMBL22309192 0.80 GLA (0.40) GLAMEN1KMT2ARIPK1NPC1
SCHEMBL22069913 0.80 GLA (0.40) GLAMEN1KMT2ARIPK1NPC1
SCHEMBL25469179 0.76 RIPK1 (0.46) RIPK1TSHR
SCHEMBL26606649 0.76 RIPK1 (0.46) RIPK1TSHR
SCHEMBL22069911 0.75 RIPK1 (0.44) GLARIPK1SMN1; SMN2KDM4EHAT1
SCHEMBL24361064 0.74 RIPK1 (0.44) RIPK1TSHR
SCHEMBL22308451 0.74 RIPK1 (0.44) RIPK1TSHR
SCHEMBL22345950 0.73 RIPK1 (0.41) GLARIPK1KDM4EHAT1EP300

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-4321523-A2 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-02-14 EP disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US disclosed
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 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 (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-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 IMPDH2 4086/4885GLA 1027/4885MEN1 707/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 IMPDH2 4086/4885GLA 1027/4885MEN1 707/4885

“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.