SCHEMBL29618352

SCHEMBL29618352

CN(C)c1ccc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 3/20 0.40
KCNH2 Q12809 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38

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
SCHEMBL142308 1.00 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4ALOX15MAPK1
Hydrochloric Acid SCHEMBL6943747 0.98 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL13724672 0.83 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL30639141 0.80 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL29449725 0.80 HRH3 (0.46) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL23620906 0.80 HRH3 (0.46) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL2791956 0.79 PDE10A (0.39) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL2792020 0.79 PIK3CD (0.48) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL30486953 0.79 CA12 (0.38) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL23620903 0.77 HRH3 (0.44) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-11 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 CN disclosed
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
CN-114502555-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amines for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2022-05-13 CN 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 (5 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 ALDH1A1 1476/4885TP53 1051/4885CYP3A4 3163/4885
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 ALDH1A1 3561/4885TP53 218/4885CYP3A4 3555/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 ALDH1A1 1476/4885TP53 1051/4885CYP3A4 3163/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 ALDH1A1 2009/4885TP53 1064/4885CYP3A4 649/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885TP53 4570/4885CYP3A4 4562/4885

“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.