SCHEMBL23735688

SCHEMBL23735688

C=C(C)c1ccccc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
GAA P10253 3/20 0.46
KEAP1 Q14145 1/20 0.46
PTPN1 P18031 2/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
ATM Q13315 2/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28861221 0.84 KMT2A (0.44) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL6966462 0.84 ADRB1 (0.56) ALDH1A1TSHRMAPTLMNA
SCHEMBL27844238 0.82 MEN1 (0.47) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL15478265 0.81 NPC1 (0.66) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL23708479 0.80 NPC1 (0.51) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL27861518 0.80 NPC1 (0.41) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL10675363 0.79 NPC1 (0.59) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL27844760 0.79 NPC1 (0.43) NPC1GAAKEAP1PTPN1L3MBTL1
Hydrochloric Acid SCHEMBL9851652 0.78 NPC1 (0.67) NPC1GAAKEAP1PTPN1L3MBTL1
SCHEMBL23981784 0.77 PAX8 (0.41) GAAL3MBTL1ALDH1A1USP2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 WO disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP 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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 NPC1 3749/4885GAA 1626/4885KEAP1 435/4885

“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.