SCHEMBL22828221

SCHEMBL22828221

CCCCNc1ccc(NC(=O)Nc2ccnn2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NTRK1 P04629 3/20 0.47
▸ KCNJ6 P48051 3/20 0.46
▸ KCNJ5 P48544 3/20 0.46
▸ KCNJ3 P48549 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK13 O15264 6/20 0.46
▸ MAPK12 P53778 6/20 0.46
▸ MAPK11 Q15759 6/20 0.46
▸ MAPK14 Q16539 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ EPHX1 P07099 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL19732074 0.83 TSHR (0.59) NTRK1KCNJ6KCNJ5KCNJ3TSHR
SCHEMBL27676108 0.83 SOAT2 (0.52) RAB9ATSHRCTSKKDM4ESMN1; SMN2
SCHEMBL22828238 0.80 RAB9A (0.46) RAB9AMAPTKCNJ6KCNJ5KCNJ3
SCHEMBL23719149 0.79 MAPK10 (0.51) RAB9AMAPTMAPK13MAPK12MAPK11
SCHEMBL9453146 0.79 SOAT1 (0.58) RAB9ATSHRCTSKKDM4ESMN1; SMN2
SCHEMBL11086699 0.78 SOAT1 (0.60) RAB9ATSHRCTSKKDM4ESMN1; SMN2
SCHEMBL2943942 0.75 MEN1 (0.60) RAB9AMAPTKMT2AMAPK14SMN1; SMN2
SCHEMBL23719191 0.75 MAPT (0.54) RAB9AMAPTTSHRKDM4ESMN1; SMN2
SCHEMBL23719173 0.74 CPB1 (0.43) RAB9AMAPTKMT2ASMN1; SMN2EPHX1
SCHEMBL3433504 0.74 CYP2C9 (0.55) NTRK1KCNJ6KCNJ5KCNJ3TSHR

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-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
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO 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 RAB9A 876/4885MAPT 3027/4885NTRK1 4073/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 RAB9A 1457/4885MAPT 3503/4885NTRK1 2531/4885

“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.

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