SCHEMBL20463550

SCHEMBL20463550

CC1(C)CB(c2cnc3c(cnn3C3CCCCO3)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KDM5B Q9UGL1 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
ATR Q13535 7/20 0.31

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
SCHEMBL12370610 0.85 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30242559 0.85 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL26041870 0.80 CNR2 (0.33)
SCHEMBL19757602 0.80 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19523845 0.76 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18493140 0.76 CYP4F2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29447974 0.75 ALDH1A1 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20953116 0.75 KDM5B (0.37) CYP4F2CYP4A11KDM5B
SCHEMBL26199501 0.74 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30823741 0.74 ALDH1A1 (0.40) CYP4F2CYP4A11RXRARXRBRXRG

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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 US disclosed
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CYP4F2 3246/4885CYP4A11 2736/4885RXRA 1665/4885

“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.