SCHEMBL20406276

SCHEMBL20406276

CC(C)c1ccc(Oc2ncncc2I)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ NPBWR1 P48145 7/20 0.33
▸ MCHR1 Q99705 6/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ FGFR2 P21802 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
SCHEMBL20406284 0.84 TRPA1 (0.31) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL20406329 0.82 CYP2C9 (0.43) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL20406228 0.75 EGFR (0.42) FLT3
SCHEMBL20406283 0.75 KDM4E (0.49) LMNASMN1; SMN2
SCHEMBL20394488 0.73 CYP3A4 (0.50) LMNACYP2C9TSHR
SCHEMBL20406696 0.73 PDE10A (0.42) LMNAFGFR2
SCHEMBL20406611 0.72 PDE10A (0.43) —
SCHEMBL20406186 0.72 PDE10A (0.43) —
SCHEMBL20406316 0.72 DRD1 (0.35) P2RX3P2RX2LMNA
SCHEMBL20755016 0.70 TRPV4 (0.39) —

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
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 — — US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 — — US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA PTPN1 1905/4885PTPN2 1574/4885PTPN6 1867/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PTPN1 1905/4885PTPN2 1574/4885PTPN6 1867/4885

“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.

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