SCHEMBL24136244

SCHEMBL24136244

CN1CCC(NC(=O)c2ccc(C(C)(C)C)c(O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 2/20 0.46
HTR7 P34969 1/20 0.45
ACSS2 Q9NR19 1/20 0.45
HPGD P15428 2/20 0.44
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22280231 0.84 LRRK2 (0.55) KMT2AHTR7LRRK2ALDH1A1
SCHEMBL13363749 0.82 SMYD3 (0.47) SLC6A5HDAC4HDAC6TSHRACSS2
SCHEMBL14146060 0.82 KMT2A (0.49) KMT2ASLC6A5HDAC4HDAC6TSHR
SCHEMBL30356809 0.82 SMYD3 (0.47) SLC6A5HDAC4HDAC6TSHRACSS2
SCHEMBL12139819 0.81 MEN1 (0.67) MEN1KMT2ASLC6A5HDAC4HDAC6
SCHEMBL16972143 0.78 PTPN7 (0.56) MEN1KMT2AHPGDLRRK2ALDH1A1
SCHEMBL17403535 0.78 MEN1 (0.57) MEN1KMT2ASLC6A5TSHRHTR7
SCHEMBL10195592 0.78 NPC1 (0.69) MEN1KMT2ASLC6A5HDAC4HDAC6
SCHEMBL30356891 0.78 POLB (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL24553265 0.77 GLA (0.56) MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 MAOB 3915/4885MEN1 1695/4885KMT2A 933/4885

“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.