SCHEMBL3973567

SCHEMBL3973567

COc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 9/20 0.52
TP53 P04637 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 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
SCHEMBL1408413 0.84 NR1I2 (0.42) NR1I2ALDH1A1LMNAKDM4EMAPT
SCHEMBL29394648 0.84 NR1I2 (0.42) NR1I2ALDH1A1LMNAKDM4EMAPT
SCHEMBL11326122 0.84 LMNA (0.53) NR1I2TP53ALDH1A1CYP3A4KMT2A
SCHEMBL3869436 0.82 KDM4E (0.43) TP53ALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL1011692 0.79 KDM4E (0.44) TP53ALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL13532209 0.79 MEN1 (0.46) TP53ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL14688241 0.78 RIPK2 (0.44) TP53ALDH1A1CYP3A4KMT2ALMNA
Hydrochloric Acid SCHEMBL3190696 0.78 MEN1 (0.48) TP53ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL13532214 0.76 MEN1 (0.46) TP53ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL31265705 0.75 LMNA (0.40) ALDH1A1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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 (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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP NR1I2 380/4885TP53 2635/4885ALDH1A1 943/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP NR1I2 380/4885TP53 2635/4885ALDH1A1 943/4885

“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.