SCHEMBL23719139

SCHEMBL23719139

O=C(Nc1ccc(C2CCCCC2)nc1)Nc1c[nH]nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ KCNJ6 P48051 4/20 0.38
▸ KCNJ5 P48544 4/20 0.38
▸ KCNJ3 P48549 4/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL22828672 0.80 DEGS1 (0.46) NTRK1CDK5RAB9ASMN1; SMN2KDM4E
SCHEMBL23719252 0.77 TP53 (0.52) ROCK2NTRK1CCNE1CDK2ALDH1A1
SCHEMBL23719197 0.77 KMT2A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22828671 0.77 CLK2 (0.49) ROCK2NTRK1NPC1RAB9AKDM4E
SCHEMBL22050711 0.74 CAMKK1 (0.42) CCNE1CDK2CDK5
SCHEMBL22049600 0.73 STING1 (0.40) CCNE1CDK2CDK5ALDH1A1NPC1
SCHEMBL23719136 0.73 EPHX1 (0.49) ROCK2CCNE1CDK2CDK5ALDH1A1
SCHEMBL22050235 0.71 STING1 (0.42) CCNE1CDK2CDK5
SCHEMBL22049597 0.71 STING1 (0.42) CCNE1CDK2CDK5
SCHEMBL22828374 0.71 STING1 (0.55) NTRK1NPC1RAB9A

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 ROCK2 1545/4885DGAT1 1032/4885NTRK1 4073/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ROCK2 2058/4885DGAT1 2738/4885NTRK1 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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