SCHEMBL20128883

SCHEMBL20128883

CC(C)(S)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HSP90AA1 P07900 1/20 0.37
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
POLB P06746 1/20 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
SCHEMBL179284 0.80 CYP19A1 (0.42) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL31256061 0.80 CYP19A1 (0.42) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL9474833 0.76 CYP19A1 (0.48) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL20774860 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL4630149 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL9589700 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL85681 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL8289716 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL19573760 0.76 HSP90AA1 (0.42) CYP19A1KDM4EHSP90AA1NAPRTHCAR2
SCHEMBL28453438 0.76 CYP19A1 (0.44) CYP19A1KDM4EHSP90AA1NAPRTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179594-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-06-17 US disclosed
US-10420752-B2 Inhibitors of short-chain dehydrogenase activity for modulating hematopoietic stem cells and hematopoiesis CASE WESTERN RESERVE UNIVERSITY (US) 2019-09-24 US disclosed
US-20180125829-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR MODULATING HEMATOPOIETIC STEM CELLS AND HEMATOPOIESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 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 (3 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-10420752-B2 Inhibitors of short-chain dehydrogenase activity for modulating hematopoietic stem cells and hematopoiesis HPGDS, HPGD, PHGDH CYP19A1 1306/4885KDM4E 1600/4885HSP90AA1 926/4885
US-20180125829-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR MODULATING HEMATOPOIETIC STEM CELLS AND HEMATOPOIESIS HPGDS, HPGD, PHGDH CYP19A1 1306/4885KDM4E 1600/4885HSP90AA1 926/4885
US-20210179594-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR CYP19A1 1020/4885KDM4E 3200/4885HSP90AA1 1833/4885

“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.