SCHEMBL21169723

SCHEMBL21169723

BrCCNN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL21141927 0.82
SCHEMBL1958727 0.78 KDM1A (0.40) KDM1ACA12CA1CA2CA9
SCHEMBL9417434 0.78 SMN1; SMN2 (0.41) KDM1ACA12CA1CA2CA9
SCHEMBL6505659 0.78 ALDH1A1 (0.41) KDM1ACA12CA1CA2CA9
SCHEMBL2744386 0.78 KDM1A (0.40) KDM1ACA12CA1CA2CA9
SCHEMBL7004174 0.76 KDM1A (0.39) KDM1ACA12CA1CA2CA9
SCHEMBL10571360 0.75 KDM1A (0.45) KDM1ACA12CA1CA2CA9
SCHEMBL4721218 0.75 HTT (0.49) KDM1ACA12CA1CA2CA9
SCHEMBL9126435 0.75 KDM1A (0.38) KDM1ACA12CA1CA2CA9
SCHEMBL13451264 0.73 TDP1 (0.47) KDM1ASMN1; SMN2HPGDALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511327-B1 TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF LANOVA MEDICINES LTD (CN) 2021-10-27 EP disclosed
US-10882853-B2 Tyrosine kinase inhibitor and application thereof LaNova Medicines Limited (CN) 2021-01-05 US disclosed
CN-107235896-B Tyrosine kinase inhibitor and application thereof 上海翔锦生物科技有限公司 2019-11-05 CN disclosed
US-20190248772-A1 TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF SHANGHAI XIANGJIN BIOTECHNOLOGY CO., LTD. (CN) 2019-08-15 US disclosed
EP-3511327-A1 TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF Shanghai Xiangjin Biotechnology Co., Ltd (CN) 2019-07-17 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-10882853-B2 Tyrosine kinase inhibitor and application thereof KDR, FLT1, FLT4 KDM1A 1185/4885CA12 3650/4885CA1 3551/4885
US-20190248772-A1 TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF KDR, FLT1, MET KDM1A 1227/4885CA12 3720/4885CA1 4155/4885

“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.