SCHEMBL13145646

SCHEMBL13145646

Cc1ncc(Cl)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 4/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 2/20 0.32
PABPC1 P11940 1/20 0.32
TP53 P04637 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4156370 0.81 L3MBTL1 (0.44) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL10264977 0.80 HTT (0.33) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL22949453 0.78 L3MBTL1 (0.33) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL16080758 0.77 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2ALDH1A1CA2POLB
SCHEMBL23478377 0.77 IDO1 (0.39) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL6370666 0.77 L3MBTL1 (0.35) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL14586459 0.77 ALDH1A1 (0.39) L3MBTL1GLAHTTHSD17B10HPGD
SCHEMBL13688735 0.76 HSP90AA1 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL16181783 0.74 HSD17B10 (0.33) HSD17B10SMN1; SMN2ALDH1A1CA2POLB
SCHEMBL22679517 0.74 ALDH1A1 (0.43) HTTHSD17B10SMN1; SMN2ALDH1A1CA2

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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B L3MBTL1 4069/4885GLA 3833/4885HTT 1027/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 L3MBTL1 2377/4885GLA 4735/4885HTT 3097/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 L3MBTL1 3011/4885GLA 2027/4885HTT 3023/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 L3MBTL1 2583/4885GLA 1092/4885HTT 3840/4885

“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.