Sugi Predict

Sugi Predict / Compounds / SCHEMBL20186747

SCHEMBL20186747

SCHEMBL20186747

N#CCCn1cc(B(O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.36
▸ JAK1 P23458 9/20 0.36
▸ TYK2 P29597 8/20 0.36
▸ STAT3 P40763 8/20 0.36
▸ JAK3 P52333 8/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2551385 0.78 KIT (0.37) L3MBTL1
SCHEMBL671710 0.77 L3MBTL1 (0.51) ALDH1A1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL15334490 0.77 L3MBTL1 (0.33) L3MBTL1
SCHEMBL23227824 0.77 MAPT (0.33) L3MBTL1
SCHEMBL23022153 0.77 JAK2 (0.38) JAK2JAK1TYK2STAT3JAK3
SCHEMBL31128801 0.76 ABL1 (0.36) JAK2JAK1TYK2STAT3JAK3
SCHEMBL23227826 0.74 L3MBTL1 (0.41) ALDH1A1L3MBTL1KMT2A
SCHEMBL30182641 0.74 JAK2 (0.39) JAK2JAK1TYK2STAT3JAK3
SCHEMBL14964510 0.73 JAK2 (0.46) JAK2JAK1TYK2STAT3JAK3
SCHEMBL28826010 0.73 MAPT (0.41) JAK2JAK1TYK2STAT3JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 — — EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 — — EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 — — US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 — — WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 — — US disclosed
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2016-02-04 — — US 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 (3 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D JAK2 187/4885JAK1 772/4885TYK2 1519/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D JAK2 187/4885JAK1 772/4885TYK2 1519/4885
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 JAK2 2464/4885JAK1 4333/4885TYK2 3758/4885

“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.