SCHEMBL18912005

SCHEMBL18912005

C=Cc1cc2ccn(CC(=O)N(C)C)c2cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.46
GRIN1 Q05586 4/20 0.45
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KRAS P01116 3/20 0.42

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
SCHEMBL23519846 0.84 KMT2A (0.48) GRIN2BHTR2AHTR2CKRAS
SCHEMBL18911998 0.83 HTR2A (0.40) HTR2AHTR2CKRAS
SCHEMBL21936808 0.82 KRAS (0.41) HTR2AHTR2CKRAS
SCHEMBL21936469 0.82 GRIN2B (0.55) GRIN2BGRIN1KCNH2HTR2AHTR2C
SCHEMBL24901027 0.76 HTR2A (0.46) HTR2AHTR2C
SCHEMBL18912161 0.75 HTR2A (0.40) HTR2AHTR2CKRAS
SCHEMBL3354522 0.70 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL18912153 0.70 CYP2A6 (0.41) HTR2AHTR2C
SCHEMBL13981018 0.69 HTR2C (0.54) GRIN2BGRIN1HTR2AHTR2C
SCHEMBL8568248 0.69 KMT2A (0.65) GRIN2BHTR2AHTR2C

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-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 WO 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-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B GRIN2B 2642/4885GRIN1 1485/4885KCNH2 3038/4885
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, KDM1A, HDAC1 GRIN2B 1569/4885GRIN1 1828/4885KCNH2 1854/4885

“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.