SCHEMBL21329906

SCHEMBL21329906

Clc1cccc(C2COC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.45
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR3E A5X5Y0 3/20 0.35
HTR3B O95264 3/20 0.35
HTR3A P46098 3/20 0.35
HTR3D Q70Z44 3/20 0.35
HTR3C Q8WXA8 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 1/20 0.33
IDH2 P48735 5/20 0.33
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
GAA P10253 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
SCHEMBL31546719 0.85 IDH1 (0.38) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL17449295 0.81 MEN1 (0.42) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL31108761 0.81 MEN1 (0.42) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL31546858 0.81 CNR2 (0.45) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL4914453 0.78 TSHR (0.42) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL17449293 0.78 IDH1 (0.41) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL13991766 0.78 TSHR (0.42) IDH1TSHRCYP3A4HTR3EHTR3B
SCHEMBL31543163 0.76 KDM1A (0.30)
SCHEMBL31106145 0.76 HTR1A (0.40) IDH1
SCHEMBL23089447 0.76 CHRNB2 (0.46) IDH1TSHRCYP3A4HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255423-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC (US) 2020-08-13 US disclosed
US-20200255423-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC (US) 2020-08-13 US disclosed
WO-2019178079-A9 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. (US) 2019-12-12 WO disclosed
WO-2019178079-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. (US) 2019-09-19 WO disclosed
EP-3539966-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-3539966-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING AbbVie Inc. (US) 2019-09-18 EP disclosed
US-20190276450-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. 2019-09-12 US disclosed
US-20190276450-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. 2019-09-12 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-20190276450-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING PTK2B, ABL1, BTK IDH1 812/4885TSHR 519/4885CYP3A4 1753/4885
US-20200255423-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING PTK2B, ABL1, BTK IDH1 812/4885TSHR 519/4885CYP3A4 1753/4885

“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.