SCHEMBL19997367

SCHEMBL19997367

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)cn2)N(C)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.41
▸ PARP1 P09874 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ WNT3A P56704 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ NPY2R P49146 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 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
SCHEMBL21935824 0.88 DEGS1 (0.42) DEGS1PARP1ALDH1A1TRPA1WNT3A
SCHEMBL17626187 0.79 RAB9A (0.53) TRPA1CYP1A2LMNA
SCHEMBL21935457 0.74 KMT2A (0.46) DEGS1PARP1ALDH1A1TRPA1MEN1
SCHEMBL19997380 0.73 WNT3A (0.44) TRPA1WNT3A
SCHEMBL17628656 0.72 RAB9A (0.56) TRPA1KMT2ACYP1A2MAPT
SCHEMBL21935377 0.71 TRPA1 (0.55) TRPA1CYP1A2TSHRLMNA
SCHEMBL21935664 0.70 TRPA1 (0.52) TRPA1HSD17B10CYP1A2LMNA
SCHEMBL17626308 0.70 MAPK1 (0.59) ALDH1A1TRPA1KMT2ACYP1A2TSHR
SCHEMBL17626184 0.69 RAB9A (0.61) DEGS1TRPA1KMT2ACYP1A2TSHR
SCHEMBL17626299 0.69 PORCN (0.59) ALDH1A1TRPA1HSD17B10CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230366031-A1 KIT FOR IDENTIFYING MALIGNANCY, AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-11-16 — — US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 — — US disclosed
US-11649505-B2 Kit for identifying malignancy, and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-05-16 — — US disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 — — US disclosed
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 — — 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 (4 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-11649505-B2 Kit for identifying malignancy, and uses thereof KIT, WNT1, WNT3 DEGS1 3677/4885PARP1 3824/4885ALDH1A1 2630/4885
US-20230366031-A1 KIT FOR IDENTIFYING MALIGNANCY, AND USES THEREOF KIT, WNT1, WNT3 DEGS1 3677/4885PARP1 3824/4885ALDH1A1 2630/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 DEGS1 1916/4885PARP1 392/4885ALDH1A1 1754/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 DEGS1 1916/4885PARP1 392/4885ALDH1A1 1754/4885

“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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