SCHEMBL22411798

SCHEMBL22411798

Cn1ncc2c([N+](=O)[O-])cc(CBr)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ PKM P14618 1/20 0.33

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
SCHEMBL22411925 0.86 CREBBP (0.46) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL1780298 0.81 CREBBP (0.46) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL30860915 0.79 CREBBP (0.47) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL27227845 0.79 CREBBP (0.47) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL27227902 0.78 CREBBP (0.46) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL31172072 0.76 CREBBP (0.36) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL22412040 0.76 CREBBP (0.36) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL22412042 0.76 CREBBP (0.36) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL27227910 0.74 CREBBP (0.49) CREBBPALDH1A1LMNAHTTCYP1A2
SCHEMBL27227826 0.74 VCAM1 (0.47) CREBBPALDH1A1LMNAHTTCYP1A2

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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2025-09-04 — — US disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
EP-3938369-A1 TYK2 INHIBITORS AND USES THEREOF Esker Therapeutics, Inc. (US) 2022-01-19 — — EP disclosed
CN-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 CREBBP 761/4885ALDH1A1 4098/4885LMNA 3948/4885
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 CREBBP 761/4885ALDH1A1 4098/4885LMNA 3948/4885

“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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