SCHEMBL22276909

SCHEMBL22276909

c1ccc(-c2cc(-c3ccccc3)n3nc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
ALDH1A1 P00352 12/20 0.58
HPGD P15428 8/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 4/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL940827 0.83 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL463061 0.78 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL22276915 0.78 SMN1; SMN2 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL29720155 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL9834241 0.74 CKS1B (0.64) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL21306288 0.72 ADORA3 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL20511355 0.70 TDP1 (0.49) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL20511415 0.70 PDE10A (0.42) SMN1; SMN2MEN1KMT2APDE10ATP53
SCHEMBL18000480 0.70 MAPT (0.69) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17966388 0.69 MAPT (0.77) KDM4EALDH1A1HPGDSMN1; SMN2GAA

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-20200239479-A1 Pyrazolopyrimidine Modulators of RAS GTPase TOSK, INC. 2020-07-30 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-20200239479-A1 Pyrazolopyrimidine Modulators of RAS GTPase KRAS, NRAS, HRAS KDM4E 3433/4885ALDH1A1 3923/4885HPGD 934/4885

“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.