SCHEMBL2035679

SCHEMBL2035679

Cc1nn(-c2cncn2C)c(-c2ccc(Cl)cc2)c1C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CNR2 P34972 5/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
P2RX7 Q99572 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1A P35348 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TYMP P19971 1/20 0.32

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
SCHEMBL1431030 0.82 CYP1A2 (0.37) CNR2TP53GAAMAPTCNR1
SCHEMBL1430934 0.80 CYP1A2 (0.37) CNR2TP53GAAMAPTCNR1
SCHEMBL1360293 0.79 CNR2 (0.36) CNR2TP53GAAMAPTCNR1
SCHEMBL2534665 0.76 TP53 (0.36) CNR2TP53GAAMAPTCNR1
SCHEMBL2010705 0.72 CNR2 (0.35) CNR2MAPTCNR1MAOAADRA1A
SCHEMBL2501577 0.72 TYMP (0.33) CNR2CNR1TYMP
SCHEMBL1430672 0.68 RAB9A (0.48) SMN1; SMN2
SCHEMBL1361986 0.63 TYMP (0.44) MAPTGSK3BMAOAADRA1ATYMP
SCHEMBL10721564 0.61 FFAR2 (0.39) BRD4GSK3BDYRK1A
SCHEMBL11253413 0.61 TDP1 (0.53) GAAMAPTSMN1; SMN2

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-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 US disclosed
WO-2011073098-A1 1-(HETEROARYL)-PYRAZOL-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (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-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC BRD4 3095/4885BRD2 3442/4885BRD3 3111/4885

“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.