SCHEMBL6475236

SCHEMBL6475236

N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL10675913 0.85 ALDH1A1 (0.49) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL9309478 0.85 ALDH1A1 (0.49) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL8026458 0.83 GABRA2 (0.54) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10913942 0.82 KMT2A (0.46) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL10848533 0.82 GABRA2 (0.53) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9310026 0.81 ALDH1A1 (0.47) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL9311365 0.81 ALDH1A1 (0.47) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL9526287 0.80 KMT2A (0.47) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL838436 0.80 KMT2A (0.44) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL6949643 0.79 KMT2A (0.43) KDM4EALDH1A1KMT2AMEN1MAPT

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-20050209251-A1 Substituted pyrazolo-pyrimidine-4-ones BAYER CROPSCIENCE AG (DE) 2005-09-22 US disclosed
EP-0846113-B1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AG (DE) 2003-01-29 EP disclosed
US-6107253-A GOOD HERBICIDAL ACTION AND ARE TOLERABLE IN CROPS SUCH AS WHEAT OR RICE BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
WO-1997007114-A1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-27 WO disclosed
US-5262382-A Preemergent or postemengent herbicides FMC CORPORATION (US) 1993-11-16 US disclosed
US-5250504-A Pre- and postemergence FMC CORPORATION (US) 1993-10-05 US disclosed
US-5198014-A Herbicidal beta-pyrazolylacrylic acid compound FMC CORPORATION (US) 1993-03-30 US disclosed
US-5167691-A Pre- and postemergence FMC CORPORATION (US) 1992-12-01 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-20050209251-A1 Substituted pyrazolo-pyrimidine-4-ones P2RX4, DHFR, DDT KDM4E 948/4885ALDH1A1 307/4885KMT2A 1779/4885

“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.