SCHEMBL31009642

SCHEMBL31009642

CC[C@H](c1cnn(CCN2CCOCC2)c1)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ MAP2K1 Q02750 3/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ TBK1 Q9UHD2 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RET P07949 2/20 0.36

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
SCHEMBL31009626 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL31009657 0.82 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19JAK2
SCHEMBL31009656 0.82 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19JAK2
SCHEMBL31009616 0.80 KDM5A (0.40) JAK2JAK1TYK2JAK3IKBKE
SCHEMBL31009597 0.80 KDM5A (0.40) JAK2JAK1TYK2JAK3IKBKE
SCHEMBL30784876 0.80 KDM5A (0.40) JAK2JAK1TYK2JAK3IKBKE
SCHEMBL31009589 0.78 IKBKE (0.36) JAK2JAK1JAK3IKBKETBK1
SCHEMBL31009725 0.78 IKBKE (0.36) JAK2JAK1JAK3IKBKETBK1
SCHEMBL31009599 0.77 CREBBP (0.39) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL31009606 0.77 CREBBP (0.39) JAK2JAK1TYK2JAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 — — 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 (1 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-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 CYP1A2 840/4885CYP3A4 2123/4885CYP2D6 1311/4885

“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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