SCHEMBL23719141

SCHEMBL23719141

O=C(Nc1ccccc1)Nc1cncn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TAAR1 Q96RJ0 2/20 0.53
KCNJ6 P48051 1/20 0.52
KCNJ5 P48544 1/20 0.52
KCNJ3 P48549 1/20 0.52
MAPK14 Q16539 8/20 0.50
MAPK13 O15264 7/20 0.50
MAPK12 P53778 7/20 0.50
MAPK11 Q15759 7/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PTPN1 P18031 1/20 0.46
MAOA P21397 2/20 0.46

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
SCHEMBL23320080 0.83 RAB9A (0.48) TSHRSMN1; SMN2KCNJ6KCNJ5KCNJ3
SCHEMBL22828238 0.83 RAB9A (0.46) TSHREPHX1KCNJ6KCNJ5KCNJ3
SCHEMBL23320044 0.74 RAB9A (0.46) TP53SMN1; SMN2RAB9AIDO1NPC1
Diphenylurea SCHEMBL133103 0.73 SMN1; SMN2 (1.00) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL5378514 0.73 RAB9A (0.40) TSHRRAB9AMAOAMAOB
SCHEMBL19732074 0.72 TSHR (0.59) TSHRTP53EPHX1EPHX2CDK9
Diphenylurea SCHEMBL3037927 0.71 SMN1; SMN2 (0.94) TSHRTP53EPHX1EPHX2CDK9
Diphenylurea SCHEMBL29392345 0.71 SMN1; SMN2 (0.94) TSHRTP53EPHX1EPHX2CDK9
Diphenylurea SCHEMBL28431956 0.71 SMN1; SMN2 (0.94) TSHRTP53EPHX1EPHX2CDK9
Diphenylurea SCHEMBL30786615 0.71 SMN1; SMN2 (0.94) TSHRTP53EPHX1EPHX2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 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 (2 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TSHR 4487/4885TP53 10/4885EPHX1 941/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 TSHR 2046/4885TP53 15/4885EPHX1 1188/4885

“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.