SCHEMBL188121

SCHEMBL188121

CC(C)(C)C(=O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.68
CASP6 P55212 1/20 0.68
MAPT P10636 10/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 5/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ADRA2C P18825 1/20 0.53
PTK2B Q14289 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 6/20 0.51
ALOX12 P18054 4/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
RAD52 P43351 1/20 0.49
PDK2 Q15119 1/20 0.48

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
SCHEMBL8510262 0.89 GFER (0.66) GFERCASP6MAPTALDH1A1GAA
SCHEMBL12788651 0.85 AKR1C3 (0.59) GFERCASP6MAPTALDH1A1GAA
SCHEMBL13887688 0.85 MAPT (0.58) GFERMAPTALDH1A1GAAKMT2A
SCHEMBL23544892 0.84 PANK3 (0.54) GFERCASP6MAPTALDH1A1GAA
SCHEMBL2450111 0.83 GFER (0.63) GFERCASP6MAPTALDH1A1GAA
SCHEMBL18701796 0.83 LMNA (0.63) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL18701878 0.83 CA12 (0.61) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL8241506 0.83 MAPK1 (0.66) MAPTALDH1A1KMT2ALMNACYP2C9
SCHEMBL2682444 0.82 USP2 (0.55) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL188503 0.81 GFER (1.00) GFERCASP6MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 CN claimed
CN-119285649-A Heterobifunctional compound based on HSP70 targeted degradation of BRD4, preparation and application 中国药科大学 2025-01-10 CN disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK GFER 1162/4885CASP6 1437/4885MAPT 4723/4885

“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.