SCHEMBL6090368

SCHEMBL6090368

CCn1nc(C)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.66
ADORA2A P29274 3/20 0.60
ADORA2B P29275 3/20 0.60
SLC9A1 P19634 1/20 0.44
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
ELANE P08246 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9882815 0.85 ALDH1A1 (0.53) GLSADORA2AADORA2BLMNAALDH1A1
SCHEMBL19596918 0.85 GLS (0.72) GLSADORA2AADORA2BSLC9A1LMNA
SCHEMBL15241840 0.82 GLS (0.64) GLSADORA2AADORA2BLMNAL3MBTL1
SCHEMBL13174597 0.82 GLS (0.68) GLSADORA2AADORA2BSLC9A1
SCHEMBL20195799 0.79 GLS (0.70) GLSADORA2AADORA2BLMNAL3MBTL1
SCHEMBL19675194 0.79 GLS (0.60) GLSADORA2AADORA2BLMNAL3MBTL1
SCHEMBL13777341 0.79 L3MBTL1 (0.62) GLSLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL25153639 0.78 SLC9A1 (0.43) GLSADORA2AADORA2BSLC9A1LMNA
SCHEMBL14216404 0.78 SLC9A1 (0.43) GLSADORA2AADORA2BSLC9A1L3MBTL1
SCHEMBL2899658 0.78 ALOX15 (0.49) GLSADORA2AADORA2BSLC9A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO claimed
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9067917-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-6998489-B2 Methods of making indazoles ALCON, INC. (CH) 2006-02-14 US disclosed
EP-1392659-A4 METHODS OF MAKING INDAZOLES ALCON INC (CH) 2004-10-20 EP disclosed
US-20040142998-A1 Methods of making indazoles ALCON, INC. (CH) 2004-07-22 US disclosed
EP-1392659-A1 METHODS OF MAKING INDAZOLES Alcon, Inc. (CH) 2004-03-03 EP disclosed
WO-2002098862-A1 METHODS OF MAKING INDAZOLES ALCON, INC. (CH) 2002-12-12 WO disclosed
WO-2002098861-A1 METHODS OF MAKING 1-(2-AMINOPROPYL)-6-HYDROXYINDAZOLE ALCON, INC. (CH) 2002-12-12 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 (4 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-20040142998-A1 Methods of making indazoles NAT1, CYP3A5, ALDH3A1 GLS 497/4885ADORA2A 655/4885ADORA2B 464/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA GLS 459/4885ADORA2A 1389/4885ADORA2B 1701/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD GLS 231/4885ADORA2A 1823/4885ADORA2B 1435/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD GLS 217/4885ADORA2A 1863/4885ADORA2B 1509/4885

“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.