SCHEMBL3856479

SCHEMBL3856479

CC(C)(C)OC(=O)NCc1cc(C2CC2)no1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
KDM4A O75164 1/20 0.38
ACACB O00763 4/20 0.38
CYP1A2 P05177 2/20 0.38
ACACA Q13085 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 1/20 0.37
IGF1R P08069 2/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4015367 0.80 EPHX2 (0.52) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL2123367 0.80 EPHX2 (0.41) GFERNR1H4KDM4ACYP1A2SMN1; SMN2
SCHEMBL8235172 0.80 EPHX2 (0.49) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL30914650 0.80 KDM4A (0.42) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL1810190 0.79 NR1H4 (0.45) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL9849328 0.78 NR1H4 (0.43) NR1H4KDM4ACYP1A2HDAC1HDAC6
SCHEMBL31630280 0.78 RAB9A (0.48) GFERSMN1; SMN2RAB9AKDM4E
SCHEMBL27773505 0.77 NR1H4 (0.47) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL4010124 0.77 NR1H4 (0.44) NR1H4KDM4ACYP1A2SMN1; SMN2HDAC1
SCHEMBL15295634 0.77 GFER (0.38) GFERNR1H4ACACBCYP1A2ACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 GFER 4218/4885MAPKAPK2 305/4885NR1H4 1272/4885

“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.