SCHEMBL19678674

SCHEMBL19678674

O=C(I)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ PIK3R1 P27986 3/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL17859909 0.88 CYP1A2 (0.43) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL19684344 0.87 HTT (0.47) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL17859914 0.86 ALDH1A1 (0.45) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL17859827 0.81 POLB (0.43) CYP1A2KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL19678675 0.80 PIK3CA (0.38) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL17859916 0.79 RAF1 (0.37) CYP1A2CYP2D6MAPTKDM4EKMT2A
SCHEMBL17859834 0.77 MAPT (0.47) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL17859846 0.77 ALDH1A1 (0.45) MAPTHTTKDM4EKMT2ASMN1; SMN2
SCHEMBL17859925 0.76 RAF1 (0.47) CYP1A2CYP2D6MAPTHTTKDM4E
SCHEMBL17859926 0.76 KMT2A (0.41) CYP1A2CYP2D6MAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-12-07 — — US disclosed
US-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-12-07 — — 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 (1 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-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF PIK3CA, PIK3CD, PIK3CG CYP1A2 1011/4885CYP2D6 123/4885MAPT 2206/4885

“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.

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