SCHEMBL19853487

SCHEMBL19853487

CCc1[nH]nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOS1 P29475 1/20 0.50
PBRM1 Q86U86 2/20 0.46
GPR84 Q9NQS5 1/20 0.43
ILK Q13418 1/20 0.43
DRD2 P14416 4/20 0.42
SLC6A4 P31645 1/20 0.42
ACHE P22303 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
DRD3 P35462 3/20 0.40
DRD4 P21917 2/20 0.40
AKT1 P31749 2/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PDK1 Q15118 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL28780865 0.73 LMNA (0.50) CYP1A2CYP2C19NOS1DRD2ACHE
SCHEMBL6845122 0.71 CYP1A2 (0.56) CYP1A2CYP2C19NOS1PBRM1PIK3CA
SCHEMBL21026893 0.71 GPR84 (0.39) CYP1A2CYP2C19NOS1PBRM1GPR84
SCHEMBL20676148 0.71 NOS1 (0.50) CYP1A2CYP2C19NOS1GPR84DRD2
SCHEMBL24892249 0.71 GRM4 (0.38) PBRM1ILKMTORKDM4EALDH1A1
SCHEMBL17692468 0.70 CYP1A2 (0.60) CYP1A2CYP2C19NOS1DRD2SLC6A4
SCHEMBL18559460 0.69 CYP1A2 (0.44) CYP1A2CYP2C19NOS1DRD2SLC6A4
SCHEMBL21689940 0.68 SLC7A5 (0.49) CYP1A2NOS1AKT1KDM4EALDH1A1
SCHEMBL19852623 0.67 CYP1A2 (0.42) CYP1A2CYP2C19NOS1GPR84DRD2
SCHEMBL14217913 0.67 ALDH1A1 (0.43) CYP1A2CYP2C19NOS1GPR84DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 US disclosed
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 US disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 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 (6 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-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CYP1A2 3517/4885CYP2C19 1538/4885NOS1 43/4885
US-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 CYP1A2 3530/4885CYP2C19 2576/4885NOS1 3359/4885
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 CYP1A2 3517/4885CYP2C19 1538/4885NOS1 43/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA CYP1A2 3701/4885CYP2C19 1787/4885NOS1 195/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 CYP1A2 3812/4885CYP2C19 1778/4885NOS1 155/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 CYP1A2 3517/4885CYP2C19 1538/4885NOS1 43/4885

“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.