SCHEMBL22201730

SCHEMBL22201730

CCC(C)c1ccnc(N2CCN(C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 2/20 0.44
HTR3A P46098 2/20 0.43
LRRK2 Q5S007 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL19322639 0.88 MEN1 (0.47) HRH4MEN1KMT2ALRRK2KDM4E
SCHEMBL24652016 0.87 HRH4 (0.52) HRH4HRH3HTR3ALRRK2KDM4E
SCHEMBL10203431 0.84 HRH4 (0.56) HRH4HRH3HTR3ALRRK2KDM4E
SCHEMBL18931264 0.84 PIK3CA (0.51) MEN1KMT2ALRRK2ALDH1A1
SCHEMBL568727 0.84 HRH4 (0.50) HRH4HRH3HTR3ALRRK2KDM4E
SCHEMBL11990209 0.78 KMT2A (0.49) HRH4MEN1KMT2AHTR3AL3MBTL1
SCHEMBL14238591 0.78 KMT2A (0.49) HRH4MEN1KMT2AHTR3AL3MBTL1
SCHEMBL11990130 0.78 KMT2A (0.49) HRH4MEN1KMT2AHTR3AL3MBTL1
SCHEMBL16019498 0.77 PANK3 (0.48) HRH4MEN1KMT2AHRH3TLR9
SCHEMBL29676386 0.77 HRH4 (0.44) HRH4LRRK2KDM4ERAD52UBE2N

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-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 US disclosed
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 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 (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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 HRH4 1862/4885MEN1 4152/4885KMT2A 2547/4885
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF ACVR1, ALK, ACVRL1 HRH4 1515/4885MEN1 2047/4885KMT2A 3040/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 HRH4 1515/4885MEN1 2047/4885KMT2A 3040/4885

“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.