SCHEMBL2237866

SCHEMBL2237866

O=Cc1ncn2c1CCc1cc(C(F)(F)F)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
IDH1 O75874 10/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
HCAR1 Q9BXC0 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
FGFR4 P22455 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
SCHEMBL23050248 0.94 IDH1 (0.42) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL2235772 0.84 IDH1 (0.38) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL2234256 0.81 NOTUM (0.38) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL23050238 0.80 IDH1 (0.41) IDH1GABRG2GABRB3GABRA5HCAR1
SCHEMBL23037041 0.79 IDH1 (0.43) IDH1GABRG2GABRB3GABRA5HCAR1
SCHEMBL30511161 0.79 IDH1 (0.43) IDH1GABRG2GABRB3GABRA5HCAR1
SCHEMBL23770378 0.77 IDH1 (0.37) NOTUMIDH1GABRG2GABRB3GABRA5
SCHEMBL2235365 0.77 MAPT (0.37)
SCHEMBL2235371 0.77 MAPT (0.37)
SCHEMBL23037064 0.74 IDH1 (0.49) NOTUMIDH1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NOTUM 547/4885IDH1 2972/4885GABRG2 2731/4885
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof IDH1, IDH2, IDH3B NOTUM 2590/4885IDH1 1/4885GABRG2 1980/4885

“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.