SCHEMBL18447017

SCHEMBL18447017

CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.58
CLK2 P49760 14/20 0.58
CLK3 P49761 14/20 0.58
WNT1 P04628 3/20 0.58
TGFBR1 P36897 1/20 0.47
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL18487078 0.92 WNT1 (0.52) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL18453731 0.90 CLK2 (0.51) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL18443032 0.89 CLK2 (0.69) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL20451184 0.88 CLK2 (0.60) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL18441861 0.87 CLK2 (0.72) DYRK1ACLK2CLK3WNT1
SCHEMBL18445559 0.86 CLK2 (0.59) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL18446779 0.86 CLK3 (0.64) DYRK1ACLK2CLK3CDK2
SCHEMBL18446443 0.85 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1TGFBR1
SCHEMBL20454834 0.85 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1
SCHEMBL18448150 0.85 DYRK1A (0.71) DYRK1ACLK2CLK3WNT1TGFBR1

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
US-10604512-B2 3-(1H-indol-2-yl)-1H-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2020-03-31 US claimed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 US claimed
WO-2017023986-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2017-02-09 WO claimed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 US disclosed
US-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-08-09 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 (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-20180222891-A1 3-(1H-INDOL-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A DYRK1A 585/4885CLK2 640/4885CLK3 573/4885
US-10604512-B2 3-(1H-indol-2-yl)-1H-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A DYRK1A 413/4885CLK2 530/4885CLK3 450/4885

“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.