SCHEMBL26528236

SCHEMBL26528236

Clc1nc(N2CCNCC2)c2[nH]ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.43
▸ HTR2C P28335 3/20 0.42
▸ HTR3E A5X5Y0 2/20 0.42
▸ HTR3B O95264 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3D Q70Z44 2/20 0.42
▸ HTR3C Q8WXA8 2/20 0.42
▸ PIK3CA P42336 4/20 0.40
▸ MTOR P42345 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16094377 0.84 PIK3CA (0.56) PIK3CAMTORALDH1A1MEN1MAPT
SCHEMBL26528036 0.74 HTR6 (0.31) HTR6PIK3CAMTOR
SCHEMBL27484768 0.74 CYP1A2 (0.67) HTR6HTR2CALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL28679058 0.74 HTR2C (0.57) HTR6HRH4HTR2CALDH1A1MEN1
SCHEMBL31259506 0.72 HTR2C (0.61) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL31259505 0.72 HTR2C (0.61) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL1709783 0.72 HTR2C (0.44) HRH4HTR2CMEN1CYP1A2CYP3A4
SCHEMBL16416176 0.71 HTR6 (0.67) HTR6HRH4HTR2CHTR3EHTR3B
SCHEMBL26125316 0.70 SLC29A1 (0.48) HTR2CPIK3CAMTORMEN1CYP2D6
SCHEMBL5503906 0.70 HRH4 (0.51) HTR6HRH4HTR2CALDH1A1MEN1

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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 — — 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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS HTR6 4691/4885HRH4 1378/4885HTR2C 3992/4885

“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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