SCHEMBL20087451

SCHEMBL20087451

CC(C)CCCNC(=O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
EPHX1 P07099 2/20 0.58
CA3 P07451 2/20 0.57
CA5A P35218 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
CA14 Q9ULX7 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.36

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
SCHEMBL4530231 0.94 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19769248 0.92 MEN1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5486728 0.88 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27905936 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21533856 0.82 POLB (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24246070 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23143629 0.78 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL29982917 0.78 MEN1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21597899 0.78 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ALDH1A1 1803/4885SMN1; SMN2 1653/4885POLB 3506/4885

“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.